2-(2-Chloroethylsulfanyl)ethyl butanoate
TL;DR: 2-(2-Chloroethylsulfanyl)ethyl butanoate (CAS 70323-50-1) is a chemical compound with molecular formula C8H15ClO2S and molecular weight 210.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)ethyl butanoate
Also Known As: 2-(2-chloroethylsulfanyl)ethyl butanoate, 2-[(2-chloroethyl)sulfanyl]ethyl butanoate, Butanoic acid,2-[(2-chloroethyl)thio]ethyl ester
| Molecular Formula | C8H15ClO2S |
|---|---|
| Molecular Weight | 210.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 210.04813 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 70323-50-1 |
|---|---|
| SMILES | CCCC(=O)OCCSCCCl |
| InChIKey | RZXKGVGCUVYVSF-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroethylsulfanyl)ethyl butanoate (CAS 70323-50-1), with molecular formula C8H15ClO2S and molecular weight 210.05 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)ethyl butanoate.
Chemical Property Profile of 2-(2-Chloroethylsulfanyl)ethyl butanoate
Property Insights of 2-(2-Chloroethylsulfanyl)ethyl butanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Chloroethylsulfanyl)ethyl butanoate. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(2-Chloroethylsulfanyl)ethyl butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroethylsulfanyl)ethyl butanoate 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 2-(2-Chloroethylsulfanyl)ethyl butanoate?
The CAS number of 2-(2-Chloroethylsulfanyl)ethyl butanoate is 70323-50-1.
What is the molecular formula of 2-(2-Chloroethylsulfanyl)ethyl butanoate?
The molecular formula of 2-(2-Chloroethylsulfanyl)ethyl butanoate is C8H15ClO2S.
What is the molecular weight of 2-(2-Chloroethylsulfanyl)ethyl butanoate?
The molecular weight of 2-(2-Chloroethylsulfanyl)ethyl butanoate is 210.05 g/mol.
Where can I buy 2-(2-Chloroethylsulfanyl)ethyl butanoate?
You can request a quote for 2-(2-Chloroethylsulfanyl)ethyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloroethylsulfanyl)ethyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroethylsulfanyl)ethyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.