Methyl 3-(4-chlorophenylthio)propionate
TL;DR: Methyl 3-(4-chlorophenylthio)propionate (CAS 54696-23-0) is a chemical compound with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)sulfanylpropanoate
Also Known As: Methyl 3-(4-chlorophenyl)sulfanylpropanoate, METHYL 3-(4-CHLOROPHENYLTHIO)PROPIONATE, J2.241.575A, 3-(4-Chlorophenylthio)propanoic acid methyl ester, 3-(4-Chlorophenylthio)propionic acid methyl ester
| Molecular Formula | C10H11ClO2S |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 2.9952 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.01683 |
| Heavy Atoms | 14 |
| Complexity | 297.49524 |
Chemical Identifiers
| CAS Number | 54696-23-0 |
|---|---|
| SMILES | COC(=O)CCSC1=CC=C(C=C1)Cl |
Product Overview
Methyl 3-(4-chlorophenylthio)propionate (CAS 54696-23-0), with molecular formula C10H11ClO2S and molecular weight 230.02 g/mol. IUPAC: methyl 3-(4-chlorophenyl)sulfanylpropanoate.
Chemical Property Profile of Methyl 3-(4-chlorophenylthio)propionate
Property Insights of Methyl 3-(4-chlorophenylthio)propionate
The XLogP value of 2.9952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-chlorophenylthio)propionate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-chlorophenylthio)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-chlorophenylthio)propionate 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 Methyl 3-(4-chlorophenylthio)propionate?
The CAS number of Methyl 3-(4-chlorophenylthio)propionate is 54696-23-0.
What is the molecular formula of Methyl 3-(4-chlorophenylthio)propionate?
The molecular formula of Methyl 3-(4-chlorophenylthio)propionate is C10H11ClO2S.
What is the molecular weight of Methyl 3-(4-chlorophenylthio)propionate?
The molecular weight of Methyl 3-(4-chlorophenylthio)propionate is 230.02 g/mol.
Where can I buy Methyl 3-(4-chlorophenylthio)propionate?
You can request a quote for Methyl 3-(4-chlorophenylthio)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(4-chlorophenylthio)propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-chlorophenylthio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.