(E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
TL;DR: (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile (CAS 903585-68-2) is a chemical compound with molecular formula C16H13FN2O3S and molecular weight 332.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile, (2E)-3-(2-Fluoroanilino)-2-(4-methoxybenzene-1-sulfonyl)prop-2-enenitrile, (E)-3-((2-fluorophenyl)amino)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile, (2E)-3-[(2-fluorophenyl)amino]-2-[(4-methoxyphenyl)sulfonyl]prop-2-enenitrile
| Molecular Formula | C16H13FN2O3S |
|---|---|
| Molecular Weight | 332.06 g/mol |
| LogP | 3.08508 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.06308 |
| Heavy Atoms | 23 |
| Complexity | 868.94354 |
Chemical Identifiers
| CAS Number | 903585-68-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=CC=C2F)/C#N |
Product Overview
(E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile (CAS 903585-68-2), with molecular formula C16H13FN2O3S and molecular weight 332.06 g/mol. IUPAC: (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
Property Insights of (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
The XLogP value of 3.08508 indicates that (E)-3-(2-fluoroanilino)-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-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile. Following Lipinski's Rule of Five, (E)-3-(2-fluoroanilino)-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-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
The CAS number of (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile is 903585-68-2.
What is the molecular formula of (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
The molecular formula of (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile is C16H13FN2O3S.
What is the molecular weight of (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
The molecular weight of (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile is 332.06 g/mol.
Where can I buy (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
You can request a quote for (E)-3-(2-fluoroanilino)-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-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(2-fluoroanilino)-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.