(E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile
TL;DR: (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile (CAS 477298-99-0) is a chemical compound with molecular formula C19H11ClF3N3S and molecular weight 405.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
Also Known As: (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile, (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile, (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
| Molecular Formula | C19H11ClF3N3S |
|---|---|
| Molecular Weight | 405.03 g/mol |
| LogP | 6.45888 |
| Topological Polar Surface Area | 48.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.03143 |
| Heavy Atoms | 27 |
| Complexity | 1020.66943 |
Chemical Identifiers
| CAS Number | 477298-99-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=C(C=C3)Cl)C(F)(F)F)/C#N |
Product Overview
(E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile (CAS 477298-99-0), with molecular formula C19H11ClF3N3S and molecular weight 405.03 g/mol. IUPAC: (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile
Property Insights of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile
The XLogP value of 6.45888 indicates that (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.71 Ų, (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile?
The CAS number of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile is 477298-99-0.
What is the molecular formula of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile?
The molecular formula of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile is C19H11ClF3N3S.
What is the molecular weight of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile?
The molecular weight of (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile is 405.03 g/mol.
Where can I buy (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile?
You can request a quote for (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-phenylthiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.