Methyl 4-(2-phenylethynyl)benzoate
Structure Info
- Chemspace ID
- CSSB00020589772 (In-Stock Building Blocks)
- CAS
- 42497-80-3
- MFCD
- MFCD06203959
- IUPAC Name
- methyl 4-(2-phenylethynyl)benzoate
- Mol formula
- C16H12O2
- Mol weight
- 236 Da
- Catalog Number(s)
- A149624, A380859, AA00CLUX, ACAODW853, AD259400, AF88101, AG00CLXP, AN88101, AR00CMMP, ArZ-UP167571, ArZ-UP217557, ArZ-UP520853, BB4LS-EN300-266211, BBLS00020589772, BBV-42856078, BD211589, CS-0734971, CSC020589772, CSCR00014085510, EC00CO3H, EN300-266211, F77964, F923278, HFC3945, HS-4818, JH684857, M358723, OR1052711, SBA49780, ST00CNEH, TX00CN3D, Y3119182, Y4267207, Z210305610, ZX-NM195296, ZX-NM210846, ZX-RC058978, ZXC238957, a6_50530_8354, bbls00020589772, s_1458_475574_483916, s_1458____475574____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.1
- Heavy atoms count
- 18
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.062
- Polar surface area (Å)
- 26
- Hydrogen bond acceptors count
- 1
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSB00020589772
Items Overall 70 items from 20 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 45.64 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 63.05 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 84.43 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 108.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 136.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 50 mg | 86.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 100 mg | 127.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 250 mg | 182.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 500 mg | 287.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 1 g | 367.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 2.5 g | 712.00 | |
| Enamine US, Inc. | 2 days | United States To: | 95 | 5 g | 1,286.00 | |
| Astatech CN | 2 days | China To: | 95 | 250 mg | 174.90 | |
| Astatech CN | 2 days | China To: | 95 | 1 g | 416.90 | |
Description: METHYL 4-(2-PHENYLETHYNYL)BENZOATE; CAS: 42497-80-3 | ||||||
| Astatech Inc | 2 days | United States To: | 95 | 250 mg | 174.90 | |
| Astatech Inc | 2 days | United States To: | 95 | 1 g | 416.90 | |
Description: METHYL 4-(2-PHENYLETHYNYL)BENZOATE; CAS: 42497-80-3 | ||||||
| 1st Scientific CN | 3 days | China To: | 95 | 250 mg | 191.40 | |
| 1st Scientific CN | 3 days | China To: | 95 | 1 g | 433.40 | |
Description: Methyl 4-(phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| 1st Scientific LLC | 3 days | United States To: | 95 | 250 mg | 191.40 | |
| 1st Scientific LLC | 3 days | United States To: | 95 | 1 g | 433.40 | |
Description: Methyl 4-(phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| ChemScene CN | 5 days | China To: | 95 | 100 mg | 89.00 | |
| ChemScene CN | 5 days | China To: | 95 | 250 mg | 150.00 | |
| ChemScene CN | 5 days | China To: | 95 | 1 g | 404.00 | |
| ChemScene CN | 5 days | China To: | 95 | 5 g | 1,443.00 | |
Description: Methyl 4-(phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| AiFChem | 5 days | United States To: | 95 | 250 mg | 137.00 | |
| AiFChem | 5 days | United States To: | 95 | 1 g | 368.00 | |
| AiFChem | 5 days | United States To: | 95 | 5 g | 1,462.00 | |
Description: Methyl 4-(phenylethynyl)benzoate; Hazard statement: H302, H315, H319; CAS: 42497-80-3 | ||||||
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 45.64 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 63.05 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 84.43 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 108.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 136.00 | |
| Angene International Limited | 10 days | China To: | 95 | 100 mg | 71.10 | |
| Angene International Limited | 10 days | China To: | 95 | 250 mg | 118.80 | |
| Angene International Limited | 10 days | China To: | 95 | 1 g | 315.90 | |
| Angene International Limited | 10 days | China To: | 95 | 5 g | 1,098.90 | |
Description: Methyl 4-(phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| AiFChem CN | 10 days | China To: | 95 | 100 mg | 82.00 | |
Description: Methyl 4-(phenylethynyl)benzoate; Hazard statement: H302, H315, H319; CAS: 42497-80-3 | ||||||
| Advanced ChemBlocks CN | 10 days | China To: | 95 | 250 mg | 180.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 95 | 1 g | 490.00 | |
| Advanced ChemBlocks CN | 10 days | China To: | 95 | 5 g | 1,720.00 | |
Description: Methyl 4-(2-phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 100 mg | 96.60 | |
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 250 mg | 163.30 | |
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 1 g | 439.30 | |
| Aaron Chemicals LLC | 12 days | United States To: | 95 | 5 g | 1,534.10 | |
| A2B Chem | 12 days | United States To: | 95 | 250 mg | 235.75 | |
| A2B Chem | 12 days | United States To: | 95 | 1 g | 516.35 | |
Description: Methyl 4-(Phenylethynyl)Benzoate; CAS: 42497-80-3 | ||||||
| AA BLOCKS | 12 days | United States To: | 95 | 250 mg | 247.50 | |
| AA BLOCKS | 12 days | United States To: | 95 | 1 g | 545.60 | |
Description: Methyl 4-(Phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| Fluorochem CN | 14 days | China To: | 95 | 100 mg | 112.00 | |
| Fluorochem CN | 14 days | China To: | 95 | 250 mg | 188.00 | |
| Fluorochem CN | 14 days | China To: | 95 | 1 g | 499.00 | |
| Fluorochem CN | 14 days | China To: | 95 | 5 g | 1,722.00 | |
Description: Methyl 4-(phenylethynyl)benzoate; ; Storage Conditions: ambient storage; Hazard Codes: H302, H315, H319, H335; GHS Pictograms: GHS07; CAS: 42497-80-3 | ||||||
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 50 mg | 86.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 100 mg | 127.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 250 mg | 182.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 500 mg | 287.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 1 g | 367.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 2.5 g | 712.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 5 g | 1,286.00 | |
| Enamine Ltd. | 15 days | Ukraine To: | 95 | 10 g | 2,435.00 | |
| eNovation CN | 20 days | China To: | 95 | 100 mg | 92.00 | |
| eNovation CN | 20 days | China To: | 95 | 250 mg | 120.75 | |
| eNovation CN | 20 days | China To: | 95 | 1 g | 276.00 | |
| eNovation CN | 20 days | China To: | 95 | 5 g | 1,127.00 | |
Description: Methyl 4-(phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| Accel Scientific, S.L. | 20 days | China To: | 95 | 100 mg | 95.70 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 250 mg | 158.40 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 1 g | 423.50 | |
| Accel Scientific, S.L. | 20 days | China To: | 95 | 5 g | 1,475.10 | |
Description: Methyl 4-(phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
| 10X CHEM | TBD | United States To: | 95 | 250 mg | 173.80 | |
| 10X CHEM | TBD | United States To: | 95 | 1 g | 413.60 | |
Description: Methyl 4-(phenylethynyl)benzoate; CAS: 42497-80-3 | ||||||
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Substructure Analogs
![Chemical structure of methyl 4-[2-(2-aminophenyl)ethynyl]benzoate - CSSB00103147182](/st/structure/200/7c271f298973da2bdca33f34aa7e12f2/COC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529C%2523CC1%253DCC%253DCC%253DC1N.png)
![Chemical structure of methyl 4-[2-(4-bromophenyl)ethynyl]benzoate - CSSB06454646287](/st/structure/200/aaa02acbcb863f54f2589f6903353dff/COC%2528%253DO%2529c1ccc%2528cc1%2529C%2523Cc1ccc%2528Br%2529cc1.png)
![Chemical structure of (4-{2-[4-(methoxycarbonyl)phenyl]ethynyl}phenyl)boronic acid - CSSB06454646305](/st/structure/200/8a038646c8f35a024f897b1ec91f937b/COC%2528%253DO%2529c1ccc%2528cc1%2529C%2523Cc1ccc%2528cc1%2529B%2528O%2529O.png)
![Chemical structure of potassium methyl 4-{2-[4-(difluoroboranyl)phenyl]ethynyl}benzoate fluoride - CSSB03437861083](/st/structure/200/7a789be675050c0dfe89da9d5ef36d6e/%255BF-%255D.%255BK%252B%255D.COC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529C%2523CC1%253DCC%253DC%2528C%253DC1%2529B%2528F%2529F.png)
![Chemical structure of methyl 4-{2-[4-(methoxycarbonyl)phenyl]ethynyl}benzoate - CSSB06256037359](/st/structure/200/b6e59a5c86bd932a3807bd853d0dd364/COC%2528%253DO%2529c1ccc%2528cc1%2529C%2523Cc1ccc%2528cc1%2529C%2528%253DO%2529OC.png)
Similarity Analogs
![Chemical structure of methyl 4'-(2-phenylethynyl)-[1,1'-biphenyl]-4-carboxylate - CSSB06581008786](/st/structure/200/efd906ae5f0d0c666bab94dd0a465547/COC%2528%253DO%2529C1%253DCC%253DC%2528C2%253DCC%253DC%2528C%2523CC3%253DCC%253DCC%253DC3%2529C%253DC2%2529C%253DC1.png)
