![(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile structure](/static/products/477/477298-96-7.png)
(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
TL;DR: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile (CAS 477298-96-7) is a chemical compound with molecular formula C22H11BrF3N3O2S and molecular weight 516.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile
Also Known As: (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile, (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((2-(trifluoromethyl)phenyl)amino)acrylonitrile, (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile
| Molecular Formula | C22H11BrF3N3O2S |
|---|---|
| Molecular Weight | 516.97 g/mol |
| LogP | 6.67438 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 516.97076 |
| Heavy Atoms | 32 |
| Complexity | 1451.3163 |
Chemical Identifiers
| CAS Number | 477298-96-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O |
Product Overview
(2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile (CAS 477298-96-7), with molecular formula C22H11BrF3N3O2S and molecular weight 516.97 g/mol. IUPAC: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-[2-(trifluoromethyl)anilino]prop-2-enenitrile.
Chemical Property Profile of (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Property Insights of (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
The XLogP value of 6.67438 indicates that (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile. Following Lipinski's Rule of Five, (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}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 (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile?
The CAS number of (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile is 477298-96-7.
What is the molecular formula of (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile?
The molecular formula of (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile is C22H11BrF3N3O2S.
What is the molecular weight of (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile?
The molecular weight of (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile is 516.97 g/mol.
Where can I buy (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile?
You can request a quote for (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}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 (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2Z)-2-[4-(6-bromo-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]-3-{[2-(trifluoromethyl)phenyl]amino}prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.