![(E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile structure](/static/products/1024/1024871-96-2.webp)
(E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile
TL;DR: (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1024871-96-2) is a chemical compound with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-3-hydroxy-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile, 2-(benzenesulfonyl)-3-hydroxy-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile, (2E)-2-(benzenesulfonyl)-3-hydroxy-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile, 2-(benzenesulfonyl)-3-hydroxy-3-[[3-(trifluoromethyl)phenyl]amino]prop-2-enenitrile, 3-HYDROXY-2-(PHENYLSULFONYL)-3-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)PROP-2-ENENITRILE
| Molecular Formula | C16H11F3N2O3S |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 3.84188 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.04425 |
| Heavy Atoms | 25 |
| Complexity | 946.5805 |
Chemical Identifiers
| CAS Number | 1024871-96-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(=C(NC2=CC=CC(=C2)C(F)(F)F)O)C#N |
Product Overview
(E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1024871-96-2), with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol. IUPAC: 2-(benzenesulfonyl)-3-hydroxy-3-[3-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile
Property Insights of (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile
The XLogP value of 3.84188 indicates that (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile. Following Lipinski's Rule of Five, (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile has 2 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-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile?
The CAS number of (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile is 1024871-96-2.
What is the molecular formula of (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular formula of (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile is C16H11F3N2O3S.
What is the molecular weight of (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular weight of (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile is 368.04 g/mol.
Where can I buy (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile?
You can request a quote for (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-hydroxy-2-(phenylsulfonyl)-3-[3-(trifluoromethyl)anilino]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.