3-(2-Methoxy-phenyl)-butyric acid methyl ester
TL;DR: 3-(2-Methoxy-phenyl)-butyric acid methyl ester (CAS 104846-98-2) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-methoxyphenyl)butanoate
Also Known As: Methyl 3-(2-methoxyphenyl)butanoate, Methyl (R)-3-(2-Methoxyphenyl)butanoate, Methyl (S)-3-(2-Methoxyphenyl)butanoate, 3-(2-Methoxy-phenyl)-butyric acid methyl ester, 2-methoxy-beta-methyl-benzenepropanoic acid, methyl ester
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.3618 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 333.39404 |
Chemical Identifiers
| CAS Number | 104846-98-2 |
|---|---|
| SMILES | CC(CC(=O)OC)C1=CC=CC=C1OC |
Product Overview
3-(2-Methoxy-phenyl)-butyric acid methyl ester (CAS 104846-98-2), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: methyl 3-(2-methoxyphenyl)butanoate.
Chemical Property Profile of 3-(2-Methoxy-phenyl)-butyric acid methyl ester
Property Insights of 3-(2-Methoxy-phenyl)-butyric acid methyl ester
The XLogP value of 2.3618 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Methoxy-phenyl)-butyric acid methyl ester. With a topological polar surface area (TPSA) of 35.53 Ų, 3-(2-Methoxy-phenyl)-butyric acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Methoxy-phenyl)-butyric acid methyl ester has 0 hydrogen bond donor(s) and 3 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-(2-Methoxy-phenyl)-butyric acid methyl ester?
The CAS number of 3-(2-Methoxy-phenyl)-butyric acid methyl ester is 104846-98-2.
What is the molecular formula of 3-(2-Methoxy-phenyl)-butyric acid methyl ester?
The molecular formula of 3-(2-Methoxy-phenyl)-butyric acid methyl ester is C12H16O3.
What is the molecular weight of 3-(2-Methoxy-phenyl)-butyric acid methyl ester?
The molecular weight of 3-(2-Methoxy-phenyl)-butyric acid methyl ester is 208.11 g/mol.
Where can I buy 3-(2-Methoxy-phenyl)-butyric acid methyl ester?
You can request a quote for 3-(2-Methoxy-phenyl)-butyric 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-(2-Methoxy-phenyl)-butyric acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methoxy-phenyl)-butyric acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.