Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate
TL;DR: Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate (CAS 5289-54-3) is a chemical compound with molecular formula C10H8Cl2O2S and molecular weight 261.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate
Also Known As: methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate, METHYL (E)-2-CHLORO-3-(4-CHLOROPHENYL)SULFANYL-PROP-2-ENOATE
| Molecular Formula | C10H8Cl2O2S |
|---|---|
| Molecular Weight | 261.96 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.96222 |
| Heavy Atoms | 15 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 5289-54-3 |
|---|---|
| SMILES | COC(=O)C(=CSC1=CC=C(C=C1)Cl)Cl |
| InChIKey | YAJYGBIVJITCFX-UHFFFAOYSA-N |
Product Overview
Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate (CAS 5289-54-3), with molecular formula C10H8Cl2O2S and molecular weight 261.96 g/mol. IUPAC: methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate.
Chemical Property Profile of Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate
Property Insights of Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate
The XLogP value of 3.9 indicates that Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate 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 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate 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 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate?
The CAS number of Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate is 5289-54-3.
What is the molecular formula of Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate?
The molecular formula of Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate is C10H8Cl2O2S.
What is the molecular weight of Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate?
The molecular weight of Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate is 261.96 g/mol.
Where can I buy Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate?
You can request a quote for Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-chloro-3-(4-chlorophenyl)sulfanylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.