![(2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/477/477299-15-3.png)
(2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 477299-15-3) is a chemical compound with molecular formula C21H15ClF3N3O2S and molecular weight 465.05 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-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((4-chloro-2-(trifluoromethyl)phenyl)amino)-2-(4-(3,4-dimethoxyphenyl)thiazol-2-yl)acrylonitrile, (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H15ClF3N3O2S |
|---|---|
| Molecular Weight | 465.05 g/mol |
| LogP | 6.47608 |
| Topological Polar Surface Area | 67.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.05255 |
| Heavy Atoms | 31 |
| Complexity | 1169.4071 |
Chemical Identifiers
| CAS Number | 477299-15-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=CSC(=N2)/C(=C/NC3=C(C=C(C=C3)Cl)C(F)(F)F)/C#N)OC |
Product Overview
(2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 477299-15-3), with molecular formula C21H15ClF3N3O2S and molecular weight 465.05 g/mol. IUPAC: (E)-3-[4-chloro-2-(trifluoromethyl)anilino]-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 6.47608 indicates that (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.17 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 6 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-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 477299-15-3.
What is the molecular formula of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is C21H15ClF3N3O2S.
What is the molecular weight of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile is 465.05 g/mol.
Where can I buy (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (2E)-3-{[4-chloro-2-(trifluoromethyl)phenyl]amino}-2-[4-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.