(E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile
TL;DR: (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile (CAS 885189-50-4) is a chemical compound with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,5-dimethoxyanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-(3,5-dimethoxyanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile, (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile
| Molecular Formula | C18H18N2O5S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 2.96318 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.09363 |
| Heavy Atoms | 26 |
| Complexity | 922.287 |
Chemical Identifiers
| CAS Number | 885189-50-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC(=CC(=C2)OC)OC)/C#N |
Product Overview
(E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile (CAS 885189-50-4), with molecular formula C18H18N2O5S and molecular weight 374.09 g/mol. IUPAC: (E)-3-(3,5-dimethoxyanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile
Property Insights of (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile
The XLogP value of 2.96318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile. Following Lipinski's Rule of Five, (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile has 1 hydrogen bond donor(s) and 7 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 (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile?
The CAS number of (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile is 885189-50-4.
What is the molecular formula of (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile?
The molecular formula of (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile is C18H18N2O5S.
What is the molecular weight of (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile?
The molecular weight of (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile is 374.09 g/mol.
Where can I buy (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile?
You can request a quote for (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((3,5-dimethoxyphenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.