3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile
TL;DR: 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile (CAS 1025268-52-3) is a chemical compound with molecular formula C16H13ClN2O2S2 and molecular weight 364.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-(3-chloroanilino)-3-methylsulfanylprop-2-enenitrile
Also Known As: 3-((3-CHLOROPHENYL)AMINO)-3-METHYLTHIO-2-(PHENYLSULFONYL)PROP-2-ENENITRILE, (Z)-3-(3-chloroanilino)-3-(methylsulfanyl)-2-(phenylsulfonyl)-2-propenenitrile, 2-(benzenesulfonyl)-3-(3-chloroanilino)-3-methylsulfanylprop-2-enenitrile, (2Z)-2-(benzenesulfonyl)-3-[(3-chlorophenyl)amino]-3-(methylsulfanyl)prop-2-enenitrile, 2-(benzenesulfonyl)-3-[(3-chlorophenyl)amino]-3-methylsulfanyl-prop-2-enenitrile
| Molecular Formula | C16H13ClN2O2S2 |
|---|---|
| Molecular Weight | 364.01 g/mol |
| LogP | 4.28148 |
| Topological Polar Surface Area | 69.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.0107 |
| Heavy Atoms | 23 |
| Complexity | 872.4533 |
Chemical Identifiers
| CAS Number | 1025268-52-3 |
|---|---|
| SMILES | CSC(=C(C#N)S(=O)(=O)C1=CC=CC=C1)NC2=CC(=CC=C2)Cl |
Product Overview
3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile (CAS 1025268-52-3), with molecular formula C16H13ClN2O2S2 and molecular weight 364.01 g/mol. IUPAC: 2-(benzenesulfonyl)-3-(3-chloroanilino)-3-methylsulfanylprop-2-enenitrile.
Chemical Property Profile of 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile
Property Insights of 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile
The XLogP value of 4.28148 indicates that 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 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 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile?
The CAS number of 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile is 1025268-52-3.
What is the molecular formula of 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular formula of 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile is C16H13ClN2O2S2.
What is the molecular weight of 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile?
The molecular weight of 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile is 364.01 g/mol.
Where can I buy 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile?
You can request a quote for 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)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 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-Chlorophenyl)amino)-3-methylthio-2-(phenylsulfonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.