2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile
TL;DR: 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile (CAS 885188-58-9) is a chemical compound with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-chlorophenyl)sulfonyl-3-(2,4-dimethoxyanilino)prop-2-enenitrile
Also Known As: (E)-2-(4-chlorophenyl)sulfonyl-3-(2,4-dimethoxyanilino)prop-2-enenitrile, 2-((4-chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile
| Molecular Formula | C17H15ClN2O4S |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 3.60798 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.0441 |
| Heavy Atoms | 25 |
| Complexity | 932.1105 |
Chemical Identifiers
| CAS Number | 885188-58-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)N/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl)OC |
Product Overview
2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile (CAS 885188-58-9), with molecular formula C17H15ClN2O4S and molecular weight 378.04 g/mol. IUPAC: (E)-2-(4-chlorophenyl)sulfonyl-3-(2,4-dimethoxyanilino)prop-2-enenitrile.
Chemical Property Profile of 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile
Property Insights of 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile
The XLogP value of 3.60798 indicates that 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile has 1 hydrogen bond donor(s) and 6 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-((2,4-dimethoxyphenyl)amino)acrylonitrile?
The CAS number of 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile is 885188-58-9.
What is the molecular formula of 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile?
The molecular formula of 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile is C17H15ClN2O4S.
What is the molecular weight of 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile?
The molecular weight of 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile is 378.04 g/mol.
Where can I buy 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile?
You can request a quote for 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile 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-((2,4-dimethoxyphenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenyl)sulfonyl)-3-((2,4-dimethoxyphenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.