3-(4-Tolyl)butanoic acid methyl ester
TL;DR: 3-(4-Tolyl)butanoic acid methyl ester (CAS 60820-08-8) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-methylphenyl)butanoate
Also Known As: methyl 3-(4-methylphenyl)butanoate, 3-(4-Tolyl)butanoic acid methyl ester, Methyl (S)-3-(p-tolyl)butanoate, Methyl (R)-3-(p-Tolyl)butanoate, 3-(p-Tolyl)butyric acid methyl ester
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 60820-08-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(C)CC(=O)OC |
| InChIKey | OBWVAZIGRGXGIB-UHFFFAOYSA-N |
Product Overview
3-(4-Tolyl)butanoic acid methyl ester (CAS 60820-08-8), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: methyl 3-(4-methylphenyl)butanoate.
Chemical Property Profile of 3-(4-Tolyl)butanoic acid methyl ester
Property Insights of 3-(4-Tolyl)butanoic acid methyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Tolyl)butanoic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3-(4-Tolyl)butanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Tolyl)butanoic acid methyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Tolyl)butanoic acid methyl ester?
The CAS number of 3-(4-Tolyl)butanoic acid methyl ester is 60820-08-8.
What is the molecular formula of 3-(4-Tolyl)butanoic acid methyl ester?
The molecular formula of 3-(4-Tolyl)butanoic acid methyl ester is C12H16O2.
What is the molecular weight of 3-(4-Tolyl)butanoic acid methyl ester?
The molecular weight of 3-(4-Tolyl)butanoic acid methyl ester is 192.12 g/mol.
Where can I buy 3-(4-Tolyl)butanoic acid methyl ester?
You can request a quote for 3-(4-Tolyl)butanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Tolyl)butanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Tolyl)butanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.