![(2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile structure](/static/products/904/904504-89-8.png)
(2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile
TL;DR: (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile (CAS 904504-89-8) is a chemical compound with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(4-methoxyphenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile
Also Known As: (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile, (E)-2-((4-methoxyphenyl)sulfonyl)-3-((4-(trifluoromethoxy)phenyl)amino)acrylonitrile, (E)-2-(4-methoxyphenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile, 2-((4-Methoxyphenyl)sulfonyl)-3-((4-(trifluoromethoxy)phenyl)amino)acrylonitrile
| Molecular Formula | C17H13F3N2O4S |
|---|---|
| Molecular Weight | 398.05 g/mol |
| LogP | 3.84458 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.0548 |
| Heavy Atoms | 27 |
| Complexity | 961.2235 |
Chemical Identifiers
| CAS Number | 904504-89-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)/C(=C/NC2=CC=C(C=C2)OC(F)(F)F)/C#N |
Product Overview
(2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile (CAS 904504-89-8), with molecular formula C17H13F3N2O4S and molecular weight 398.05 g/mol. IUPAC: (E)-2-(4-methoxyphenyl)sulfonyl-3-[4-(trifluoromethoxy)anilino]prop-2-enenitrile.
Chemical Property Profile of (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile
Property Insights of (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile
The XLogP value of 3.84458 indicates that (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile 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 (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile 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 (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
The CAS number of (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile is 904504-89-8.
What is the molecular formula of (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
The molecular formula of (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile is C17H13F3N2O4S.
What is the molecular weight of (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
The molecular weight of (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile is 398.05 g/mol.
Where can I buy (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
You can request a quote for (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(4-methoxyphenyl)sulfonyl]-3-{[4-(trifluoromethoxy)phenyl]amino}prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.