(4-{2-[4-(methoxycarbonyl)phenyl]ethynyl}phenyl)boronic acid
Structure Info
- Chemspace ID
- CSSB06454646305 (In-Stock Building Blocks)
- CAS
- 2828439-79-6
- MFCD
- MFCD34705944, MFCD32706636
- IUPAC Name
- (4-{2-[4-(methoxycarbonyl)phenyl]ethynyl}phenyl)boronic acid
- Mol formula
- C16H13BO4
- Mol weight
- 280 Da
- Catalog Number(s)
- 300903, A1538281, A530753, AA024HT1, AG024HVT, BB4LS-BD01403398, BBLS06454646305, BD01403398, BJ68833, F77752, OR1051341, ST024JCL, TX024J1H, Y1368170, bbls06454646305
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.77
- Heavy atoms count
- 21
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.062
- Polar surface area (Å)
- 67
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 2
![Chemical structure of (4-{2-[4-(methoxycarbonyl)phenyl]ethynyl}phenyl)boronic acid (C16H13BO4) - CSSB06454646305](/st/structure/200/8a038646c8f35a024f897b1ec91f937b/COC%2528%253DO%2529c1ccc%2528cc1%2529C%2523Cc1ccc%2528cc1%2529B%2528O%2529O.png "C16H13BO4")
- Zoom the structure
- CSSB06454646305
Items Overall 9 items from 6 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BLD Pharmatech Co., Limited (15% Off · Special Offer) | 1 day | United States To: | 95 | 100 mg | 63.00 | |
| BLD Pharmatech Co., Limited (15% Off · Special Offer) | 1 day | United States To: | 95 | 250 mg | 118.00 | |
Description: Name:(4-((4-(Methoxycarbonyl)phenyl)ethynyl)phenyl)boronic acid; CAS: 2828439-79-6 | ||||||
| 1st Scientific LLC | 3 days | United States To: | 95 | 100 mg | 63.80 | |
Description: (4-((4-(Methoxycarbonyl)phenyl)ethynyl)phenyl)boronic acid; CAS: 2828439-79-6 | ||||||
| Ambeed, Inc. | 12 days | United States To: | 95 | 100 mg | 56.70 | |
| Ambeed, Inc. | 12 days | United States To: | 95 | 250 mg | 106.20 | |
Description: Name: (4-((4-(Methoxycarbonyl)phenyl)ethynyl)phenyl)boronic acid; CAS: 2828439-79-6 | ||||||
| AA BLOCKS | 12 days | United States To: | 95 | 100 mg | 61.60 | |
| AA BLOCKS | 12 days | United States To: | 95 | 250 mg | 114.40 | |
Description: (4-((4-(Methoxycarbonyl)phenyl)ethynyl)phenyl)boronic acid; CAS: 2828439-79-6 | ||||||
| A2B Chem | 12 days | United States To: | 95 | 100 mg | 90.85 | |
Description: (4-((4-(Methoxycarbonyl)phenyl)ethynyl)phenyl)boronic acid; CAS: 2828439-79-6 | ||||||
| 10X CHEM | TBD | United States To: | 95 | 100 mg | 63.80 | |
Description: (4-((4-(Methoxycarbonyl)phenyl)ethynyl)phenyl)boronic acid; CAS: 2828439-79-6 | ||||||
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Substructure Analogs
![Chemical structure of methyl 4-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl}benzoate - CSSB00025682882](/st/structure/200/f71580abc62cb34f3860e4e37fd07974/COC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529C%2523CC1%253DCC%253DC%2528C%253DC1%2529B1OC%2528C%2529%2528C%2529C%2528C%2529%2528C%2529O1.png)
Similarity Analogs
![Chemical structure of [4-(methoxycarbonyl)phenyl]boronic acid - CSSB00000035155](/st/structure/200/4879e31e6ccec786f8e93e7160fcdeca/COC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529B%2528O%2529O.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)
![Chemical structure of [4'-(methoxycarbonyl)-[1,1'-biphenyl]-4-yl]boronic acid - CSSB00020642393](/st/structure/200/16793036fe41d7c6d5cc9eee3c8ce241/COC%2528%253DO%2529C1%253DCC%253DC%2528C%253DC1%2529C1%253DCC%253DC%2528C%253DC1%2529B%2528O%2529O.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)
