![(E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile structure](/static/products/1025/1025596-46-6.webp)
(E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile
TL;DR: (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1025596-46-6) is a chemical compound with molecular formula C17H9ClF4N2O and molecular weight 368.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile, 2-(2-chlorobenzoyl)-3-[[4-fluoro-3-(trifluoromethyl)phenyl]amino]prop-2-enenitrile, 2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]prop-2-enenitrile, (2E)-2-[(E)-2-chlorobenzoyl]-3-{[4-fluoro-3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile, 2-((2-CHLOROPHENYL)CARBONYL)-3-((4-FLUORO-3-(TRIFLUOROMETHYL)PHENYL)AMINO)PROP-2-ENENITRILE
| Molecular Formula | C17H9ClF4N2O |
|---|---|
| Molecular Weight | 368.03 g/mol |
| LogP | 5.20018 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.03397 |
| Heavy Atoms | 25 |
| Complexity | 884.9471 |
Chemical Identifiers
| CAS Number | 1025596-46-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C(=CNC2=CC(=C(C=C2)F)C(F)(F)F)C#N)Cl |
Product Overview
(E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile (CAS 1025596-46-6), with molecular formula C17H9ClF4N2O and molecular weight 368.03 g/mol. IUPAC: 2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile
Property Insights of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile
The XLogP value of 5.20018 indicates that (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile?
The CAS number of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile is 1025596-46-6.
What is the molecular formula of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular formula of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile is C17H9ClF4N2O.
What is the molecular weight of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile?
The molecular weight of (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile is 368.03 g/mol.
Where can I buy (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile?
You can request a quote for (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-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)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(2-chlorobenzoyl)-3-[4-fluoro-3-(trifluoromethyl)anilino]-2-propenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.