2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile
TL;DR: 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile (CAS 565216-92-4) is a chemical compound with molecular formula C13H8ClNO2S2 and molecular weight 308.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfonyl-3-thiophen-2-ylprop-2-enenitrile
Also Known As: 2-((4-chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile, 2-(4-chlorophenyl)sulfonyl-3-thiophen-2-ylprop-2-enenitrile, 2-[(4-Chlorophenyl)sulfonyl]-3-(2-thienyl)acrylonitrile, 2-[(4-chlorophenyl)sulphonyl]-3-(2-thienyl)acrylonitrile, (2E)-2-(4-chlorobenzenesulfonyl)-3-(thiophen-2-yl)prop-2-enenitrile
| Molecular Formula | C13H8ClNO2S2 |
|---|---|
| Molecular Weight | 308.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.9685 |
| Heavy Atoms | 19 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 565216-92-4 |
|---|---|
| SMILES | C1=CSC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl |
| InChIKey | ZYOKZRRZBHAMJD-UHFFFAOYSA-N |
Product Overview
2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile (CAS 565216-92-4), with molecular formula C13H8ClNO2S2 and molecular weight 308.97 g/mol. IUPAC: 2-(4-chlorophenyl)sulfonyl-3-thiophen-2-ylprop-2-enenitrile.
Chemical Property Profile of 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile
Property Insights of 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile
The XLogP value of 3.4 indicates that 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile has 0 hydrogen bond donor(s) and 4 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-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile?
The CAS number of 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile is 565216-92-4.
What is the molecular formula of 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile?
The molecular formula of 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile is C13H8ClNO2S2.
What is the molecular weight of 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile?
The molecular weight of 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile is 308.97 g/mol.
Where can I buy 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile?
You can request a quote for 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenyl)sulfonyl)-3-(2-thienyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.