3-Oxo-3-m-tolyl-propionic acid methyl ester
TL;DR: 3-Oxo-3-m-tolyl-propionic acid methyl ester (CAS 200404-35-9) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-methylphenyl)-3-oxopropanoate
Also Known As: Methyl 3-oxo-3-(m-tolyl)propanoate, 3-Oxo-3-m-tolyl-propionic acid methyl ester, methyl 3-(3-methylphenyl)-3-oxopropanoate, Methyl 3-oxo-3-m-tolylpropanoate, 3-Oxo-3-(3-tolyl)propionic acid methyl ester
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.74082 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 355.3052 |
Chemical Identifiers
| CAS Number | 200404-35-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)CC(=O)OC |
Product Overview
3-Oxo-3-m-tolyl-propionic acid methyl ester (CAS 200404-35-9), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: methyl 3-(3-methylphenyl)-3-oxopropanoate.
Chemical Property Profile of 3-Oxo-3-m-tolyl-propionic acid methyl ester
Property Insights of 3-Oxo-3-m-tolyl-propionic acid methyl ester
The XLogP value of 1.74082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxo-3-m-tolyl-propionic acid methyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Oxo-3-m-tolyl-propionic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxo-3-m-tolyl-propionic 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-Oxo-3-m-tolyl-propionic acid methyl ester?
The CAS number of 3-Oxo-3-m-tolyl-propionic acid methyl ester is 200404-35-9.
What is the molecular formula of 3-Oxo-3-m-tolyl-propionic acid methyl ester?
The molecular formula of 3-Oxo-3-m-tolyl-propionic acid methyl ester is C11H12O3.
What is the molecular weight of 3-Oxo-3-m-tolyl-propionic acid methyl ester?
The molecular weight of 3-Oxo-3-m-tolyl-propionic acid methyl ester is 192.08 g/mol.
Where can I buy 3-Oxo-3-m-tolyl-propionic acid methyl ester?
You can request a quote for 3-Oxo-3-m-tolyl-propionic 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-Oxo-3-m-tolyl-propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-3-m-tolyl-propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.