2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile
TL;DR: 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile (CAS 885188-93-2) is a chemical compound with molecular formula C19H20ClN3O2S and molecular weight 389.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-chlorophenyl)sulfonyl-3-[4-(diethylamino)anilino]prop-2-enenitrile
Also Known As: (E)-2-((4-chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile, (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(diethylamino)anilino]prop-2-enenitrile, 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile
| Molecular Formula | C19H20ClN3O2S |
|---|---|
| Molecular Weight | 389.10 g/mol |
| LogP | 4.43698 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.09647 |
| Heavy Atoms | 26 |
| Complexity | 910.7518 |
Chemical Identifiers
| CAS Number | 885188-93-2 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)N/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)Cl |
Product Overview
2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile (CAS 885188-93-2), with molecular formula C19H20ClN3O2S and molecular weight 389.10 g/mol. IUPAC: (E)-2-(4-chlorophenyl)sulfonyl-3-[4-(diethylamino)anilino]prop-2-enenitrile.
Chemical Property Profile of 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile
Property Insights of 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile
The XLogP value of 4.43698 indicates that 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile 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 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile?
The CAS number of 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile is 885188-93-2.
What is the molecular formula of 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile?
The molecular formula of 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile is C19H20ClN3O2S.
What is the molecular weight of 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile?
The molecular weight of 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile is 389.10 g/mol.
Where can I buy 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile?
You can request a quote for 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)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-((4-(diethylamino)phenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorophenyl)sulfonyl)-3-((4-(diethylamino)phenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.