3-[4-(propan-2-yl)phenyl]butanoic acid
Structure Info
- Chemspace ID
- CSSB00000758219 (In-Stock Building Blocks)
- CAS
- 53086-50-3, 500345-88-0
- MFCD
- MFCD01549654, MFCD01549654
- IUPAC Name
- 3-[4-(propan-2-yl)phenyl]butanoic acid
- Mol formula
- C13H18O2
- Mol weight
- 206 Da
- Catalog Number(s)
- 182420, A1-08295, AA01AJSI, ACLPSC637, AG01AJVA, AGN-PC-0SEEN6, AR01AKKA, AV71726, BB4LS-EN300-81993, BBLS00000758219, BBV-193013, BD387763, BT34652, BVV-820659035, CS-0217691, CSC000758219, DCA08650, EN300-81993, F641077, G74648, HY-W160282, LN04680310, N756935, OR1035387, PB1250209865, PB352860304, ST01ALC2, SY185942, TX01AL0Y, Y221119, Y3126523, Y4275547, Z352782836, ZXC240404, bbls00000758219
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.59
- Heavy atoms count
- 15
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.461
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
![Chemical structure of 3-[4-(propan-2-yl)phenyl]butanoic acid (C13H18O2) - CSSB00000758219](/st/structure/200/5b4aa9ae4432798195d90a08512df5cd/CC%2528C%2529C1%253DCC%253DC%2528C%253DC1%2529C%2528C%2529CC%2528O%2529%253DO.png "C13H18O2")
- Zoom the structure
- CSSB00000758219
Items Overall 53 items from 13 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| BB4LS US | 2 days | United States To: | 95 | 50 umol | 89.57 | |
| BB4LS US | 2 days | United States To: | 95 | 100 umol | 125.06 | |
| BB4LS US | 2 days | United States To: | 95 | 200 umol | 170.08 | |
| BB4LS US | 2 days | United States To: | 95 | 300 umol | 211.00 | |
| BB4LS US | 2 days | United States To: | 95 | 500 umol | 276.00 | |
| ChemScene CN | 5 days | China To: | 95 | 50 mg | 135.00 | |
| ChemScene CN | 5 days | China To: | 95 | 100 mg | 216.00 | |
Description: 3-[4-(propan-2-yl)phenyl]butanoic acid; CAS: 53086-50-3 | ||||||
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 50 mg | 182.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 100 mg | 272.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 250 mg | 389.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 500 mg | 612.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 1 g | 785.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 2.5 g | 1,539.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 5 g | 2,277.00 | |
| Enamine Ltd. | 5 days | Ukraine To: | 95 | 10 g | 3,376.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 50 mg | 182.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 100 mg | 272.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 250 mg | 389.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 500 mg | 612.00 | |
| Enamine LV SIA | 5 days | Latvia To: | 95 | 1 g | 785.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 50 mg | 182.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 100 mg | 272.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 250 mg | 389.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 500 mg | 612.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 1 g | 785.00 | |
| Enamine US, Inc. | 5 days | United States To: | 95 | 2.5 g | 1,539.00 | |
| AiFChem | 5 days | United States To: | 95 | 50 mg | 252.00 | |
| AiFChem | 5 days | United States To: | 95 | 250 mg | 518.00 | |
Description: 3-(4-isopropylphenyl)butanoic acid; Hazard statement: H302, H315, H319, H335; CAS: 53086-50-3 | ||||||
| UORSY | 5 days | Ukraine To: | 95 | 1 g | 785.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 2.5 g | 1,539.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 5 g | 2,277.00 | |
| UORSY | 5 days | Ukraine To: | 95 | 10 g | 3,376.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 50 umol | 89.57 | |
| BB4LS EU | 7 days | Germany To: | 95 | 100 umol | 125.06 | |
| BB4LS EU | 7 days | Germany To: | 95 | 200 umol | 170.08 | |
| BB4LS EU | 7 days | Germany To: | 95 | 300 umol | 211.00 | |
| BB4LS EU | 7 days | Germany To: | 95 | 500 umol | 276.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 50 mg | 264.00 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 100 mg | 368.50 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 250 mg | 503.80 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 500 mg | 763.40 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 1 g | 962.50 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 2.5 g | 1,834.80 | |
| 1st Scientific LLC | 7 days | United States To: | 95 | 5 g | 2,689.50 | |
Description: 3-[4-(propan-2-yl)phenyl]butanoic acid; CAS: 53086-50-3 | ||||||
| AiFChem CN | 10 days | China To: | 95 | 100 mg | 368.00 | |
| AiFChem CN | 10 days | China To: | 95 | 1 g | 1,506.00 | |
Description: 3-(4-isopropylphenyl)butanoic acid; Hazard statement: H302, H315, H319, H335; CAS: 53086-50-3 | ||||||
| A2B Chem | 12 days | United States To: | 95 | 50 mg | 148.35 | |
| A2B Chem | 12 days | United States To: | 95 | 100 mg | 236.90 | |
Description: 3-[4-(propan-2-yl)phenyl]butanoic acid; CAS: 53086-50-3 | ||||||
| Fluorochem CN | 14 days | China To: | 95 | 50 mg | 170.00 | |
| Fluorochem CN | 14 days | China To: | 95 | 100 mg | 271.00 | |
Description: 3-[4-(propan-2-yl)phenyl]butanoic acid; ; Storage Conditions: ambient storage; Hazard Codes: H302, H315, H319, H335; GHS Pictograms: GHS07; CAS: 53086-50-3 | ||||||
| Advanced ChemBlocks CN | 20 days | China To: | 95 | 100 mg | 295.00 | |
| Advanced ChemBlocks CN | 20 days | China To: | 95 | 250 mg | 590.00 | |
| Advanced ChemBlocks CN | 20 days | China To: | 95 | 1 g | 1,535.00 | |
Description: 3-[4-(propan-2-yl)phenyl]butanoic acid; CAS: 53086-50-3 | ||||||
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Substructure Analogs
![Chemical structure of rac-(1R,2R)-2-[4-(propan-2-yl)phenyl]cyclopropane-1-carboxylic acid - CSSB02125403287](/st/structure/200/8bc2eae56fcdc0d0db43691d8a553aab/CC%2528C%2529C1%253DCC%253DC%2528C%253DC1%2529%255BC%2540%2540H%255D1C%255BC%2540H%255D1C%2528O%2529%253DO%2B%257C%25261%253A9%252C11%252Cr%257C.png)
![Chemical structure of 2-[4-(propan-2-yl)phenyl]cyclopropane-1-carboxylic acid - CSSB00000759001](/st/structure/200/16d69b0893d0f32c9230504cd0621111/CC%2528C%2529C1%253DCC%253DC%2528C%253DC1%2529C1CC1C%2528O%2529%253DO.png)
![Chemical structure of (1R,2R)-2-[4-(propan-2-yl)phenyl]cyclopropane-1-carboxylic acid - CSSB00102722134](/st/structure/200/689c95908a18c49930412fb1c7a16fa2/CC%2528C%2529C1%253DCC%253DC%2528C%253DC1%2529%255BC%2540%2540H%255D1C%255BC%2540H%255D1C%2528O%2529%253DO.png)
![Chemical structure of methyl 3-[4-(propan-2-yl)phenyl]butanoate - CSSB00028487345](/st/structure/200/5284b298eb89c98fc5067febc8de040a/COC%2528%253DO%2529CC%2528C%2529C1%253DCC%253DC%2528C%253DC1%2529C%2528C%2529C.png)
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