2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate
TL;DR: 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate (CAS 91767-54-3) is a chemical compound with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloroethylsulfanyl)ethyl 2-phenylacetate
Also Known As: 2-(2-chloroethylsulfanyl)ethyl 2-phenylacetate, 2-[(2-chloroethyl)sulfanyl]ethyl phenylacetate, Phenylacetat des 2-Chlor-2'-hydroxy-diaethylsulfids, BENZENEACETIC ACID,2-[(2-CHLOROETHYL)THIO]ETHYL ESTER
| Molecular Formula | C12H15ClO2S |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 258.04813 |
| Heavy Atoms | 16 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 91767-54-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OCCSCCCl |
| InChIKey | SDXCVRJJIAUUCS-UHFFFAOYSA-N |
Product Overview
2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate (CAS 91767-54-3), with molecular formula C12H15ClO2S and molecular weight 258.05 g/mol. IUPAC: 2-(2-chloroethylsulfanyl)ethyl 2-phenylacetate.
Chemical Property Profile of 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate
Property Insights of 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate
The XLogP value of 3.2 indicates that 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate 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 2-phenylacetate?
The CAS number of 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate is 91767-54-3.
What is the molecular formula of 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate?
The molecular formula of 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate is C12H15ClO2S.
What is the molecular weight of 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate?
The molecular weight of 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate is 258.05 g/mol.
Where can I buy 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate?
You can request a quote for 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate 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 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloroethylsulfanyl)ethyl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.