![(2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/477/477299-12-0.png)
(2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 477299-12-0) is a chemical compound with molecular formula C20H13ClF3N3OS and molecular weight 435.04 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-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-(4-methoxyphenyl)thiazol-2-yl)acrylonitrile, (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C20H13ClF3N3OS |
|---|---|
| Molecular Weight | 435.04 g/mol |
| LogP | 6.46748 |
| Topological Polar Surface Area | 57.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.042 |
| Heavy Atoms | 29 |
| Complexity | 1085.5863 |
Chemical Identifiers
| CAS Number | 477299-12-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=C(C=C3)Cl)C(F)(F)F)/C#N |
Product Overview
(2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 477299-12-0), with molecular formula C20H13ClF3N3OS and molecular weight 435.04 g/mol. IUPAC: (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 6.46748 indicates that (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.94 Ų, (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 477299-12-0.
What is the molecular formula of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is C20H13ClF3N3OS.
What is the molecular weight of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 435.04 g/mol.
Where can I buy (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]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)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.