![Ethyl 3-[(4-chlorophenyl)thio]propanoate structure](/static/products/1374/137446-81-2.webp)
Ethyl 3-[(4-chlorophenyl)thio]propanoate
TL;DR: Ethyl 3-[(4-chlorophenyl)thio]propanoate (CAS 137446-81-2) 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.
ethyl 3-(4-chlorophenyl)sulfanylpropanoate
Also Known As: Mangostin, beta-, ethyl 3-[(4-chlorophenyl)thio]propanoate, ethyl 3-(4-chlorophenyl)sulfanylpropanoate, ethyl 3-[(4-chlorophenyl)sulfanyl]propanoate, ethyl 3-(4-chlorophenylthio)propanoate
| Molecular Formula | C11H13ClO2S |
|---|---|
| Molecular Weight | 244.03 g/mol |
| LogP | 3.3853 |
| 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 | 137446-81-2 |
|---|---|
| SMILES | CCOC(=O)CCSC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 3-[(4-chlorophenyl)thio]propanoate (CAS 137446-81-2), with molecular formula C11H13ClO2S and molecular weight 244.03 g/mol. IUPAC: ethyl 3-(4-chlorophenyl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-[(4-chlorophenyl)thio]propanoate
Property Insights of Ethyl 3-[(4-chlorophenyl)thio]propanoate
The XLogP value of 3.3853 indicates that Ethyl 3-[(4-chlorophenyl)thio]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-[(4-chlorophenyl)thio]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-[(4-chlorophenyl)thio]propanoate 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 Ethyl 3-[(4-chlorophenyl)thio]propanoate?
The CAS number of Ethyl 3-[(4-chlorophenyl)thio]propanoate is 137446-81-2.
What is the molecular formula of Ethyl 3-[(4-chlorophenyl)thio]propanoate?
The molecular formula of Ethyl 3-[(4-chlorophenyl)thio]propanoate is C11H13ClO2S.
What is the molecular weight of Ethyl 3-[(4-chlorophenyl)thio]propanoate?
The molecular weight of Ethyl 3-[(4-chlorophenyl)thio]propanoate is 244.03 g/mol.
Where can I buy Ethyl 3-[(4-chlorophenyl)thio]propanoate?
You can request a quote for Ethyl 3-[(4-chlorophenyl)thio]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(4-chlorophenyl)thio]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(4-chlorophenyl)thio]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.