(E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
TL;DR: (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile (CAS 903860-72-0) is a chemical compound with molecular formula C16H12F2N2O3S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile, (2E)-3-[(3,4-difluorophenyl)amino]-2-[(4-methoxyphenyl)sulfonyl]prop-2-enenitrile, (E)-3-((3,4-difluorophenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile
| Molecular Formula | C16H12F2N2O3S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 3.22418 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.05368 |
| Heavy Atoms | 24 |
| Complexity | 917.329 |
Chemical Identifiers
| CAS Number | 903860-72-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC(=C(C=C2)F)F)/C#N |
Product Overview
(E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile (CAS 903860-72-0), with molecular formula C16H12F2N2O3S and molecular weight 350.05 g/mol. IUPAC: (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
Property Insights of (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
The XLogP value of 3.22418 indicates that (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile. Following Lipinski's Rule of Five, (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-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 (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
The CAS number of (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile is 903860-72-0.
What is the molecular formula of (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
The molecular formula of (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile is C16H12F2N2O3S.
What is the molecular weight of (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
The molecular weight of (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile is 350.05 g/mol.
Where can I buy (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
You can request a quote for (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(3,4-difluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.