Methyl 3-(4-chlorobenzylthio)propionate
TL;DR: Methyl 3-(4-chlorobenzylthio)propionate (CAS 56788-07-9) 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)methylsulfanyl]propanoate
Also Known As: METHYL 3-(4-CHLOROBENZYLTHIO)PROPIONATE, methyl 3-(4-chlorophenyl)methylthiopropionate, methyl 3-[(4-chlorobenzyl)sulfanyl]propanoate, Methyl 3-[(4-chlorophenyl)methylsulfanyl]propanoate, methyl 3-[(4-chlorophenyl)methylthio]propanoate
| Molecular Formula | C11H13ClO2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.1363 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.03249 |
| Heavy Atoms | 15 |
| Complexity | 310.8689 |
Chemical Identifiers
| CAS Number | 56788-07-9 |
|---|---|
| SMILES | COC(=O)CCSCC1=CC=C(C=C1)Cl |
Product Overview
Methyl 3-(4-chlorobenzylthio)propionate (CAS 56788-07-9), with molecular formula C11H13ClO2S and molecular weight 244.03 g/mol. IUPAC: methyl 3-[(4-chlorophenyl)methylsulfanyl]propanoate.
Chemical Property Profile of Methyl 3-(4-chlorobenzylthio)propionate
Property Insights of Methyl 3-(4-chlorobenzylthio)propionate
The XLogP value of 3.1363 indicates that Methyl 3-(4-chlorobenzylthio)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-(4-chlorobenzylthio)propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(4-chlorobenzylthio)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-chlorobenzylthio)propionate?
The CAS number of Methyl 3-(4-chlorobenzylthio)propionate is 56788-07-9.
What is the molecular formula of Methyl 3-(4-chlorobenzylthio)propionate?
The molecular formula of Methyl 3-(4-chlorobenzylthio)propionate is C11H13ClO2S.
What is the molecular weight of Methyl 3-(4-chlorobenzylthio)propionate?
The molecular weight of Methyl 3-(4-chlorobenzylthio)propionate is 244.03 g/mol.
Where can I buy Methyl 3-(4-chlorobenzylthio)propionate?
You can request a quote for Methyl 3-(4-chlorobenzylthio)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-chlorobenzylthio)propionate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-chlorobenzylthio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.