Methyl 3-(4-chlorophenylthio)-2-methylpropionate
TL;DR: Methyl 3-(4-chlorophenylthio)-2-methylpropionate (CAS 55009-84-2) is a chemical compound with molecular formula C11H13ClO2S and molecular weight 244.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chlorophenyl)sulfanyl-2-methylpropanoate
Also Known As: Methyl 3-(4-chlorophenylthio)-2-methylpropionate, METHYL 3-(P-CHLOROBENZYLTHIO)ISOBUTYRATE, Methyl 3-[(4-chlorophenyl)sulfanyl]-2-methylpropanoate, methyl 3-(4-chlorophenyl)sulfanyl-2-methylpropanoate, J2.818.286D
| Molecular Formula | C11H13ClO2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.03249 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 55009-84-2 |
|---|---|
| SMILES | CC(CSC1=CC=C(C=C1)Cl)C(=O)OC |
| InChIKey | LQTPIEYMBJPFQS-UHFFFAOYSA-N |
Product Overview
Methyl 3-(4-chlorophenylthio)-2-methylpropionate (CAS 55009-84-2), with molecular formula C11H13ClO2S and molecular weight 244.03 g/mol. IUPAC: methyl 3-(4-chlorophenyl)sulfanyl-2-methylpropanoate.
Chemical Property Profile of Methyl 3-(4-chlorophenylthio)-2-methylpropionate
Property Insights of Methyl 3-(4-chlorophenylthio)-2-methylpropionate
The XLogP value of 3.5 indicates that Methyl 3-(4-chlorophenylthio)-2-methylpropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Methyl 3-(4-chlorophenylthio)-2-methylpropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-chlorophenylthio)-2-methylpropionate 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)-2-methylpropionate?
The CAS number of Methyl 3-(4-chlorophenylthio)-2-methylpropionate is 55009-84-2.
What is the molecular formula of Methyl 3-(4-chlorophenylthio)-2-methylpropionate?
The molecular formula of Methyl 3-(4-chlorophenylthio)-2-methylpropionate is C11H13ClO2S.
What is the molecular weight of Methyl 3-(4-chlorophenylthio)-2-methylpropionate?
The molecular weight of Methyl 3-(4-chlorophenylthio)-2-methylpropionate is 244.03 g/mol.
Where can I buy Methyl 3-(4-chlorophenylthio)-2-methylpropionate?
You can request a quote for Methyl 3-(4-chlorophenylthio)-2-methylpropionate 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)-2-methylpropionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-chlorophenylthio)-2-methylpropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.