3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
TL;DR: 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 477292-55-0) is a chemical compound with molecular formula C22H10ClF3N4O4S and molecular weight 518.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-chloro-5-(trifluoromethyl)anilino]-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, 3-[2-chloro-5-(trifluoromethyl)anilino]-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H10ClF3N4O4S |
|---|---|
| Molecular Weight | 518.01 g/mol |
| LogP | 6.47348 |
| Topological Polar Surface Area | 122.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 518.00635 |
| Heavy Atoms | 35 |
| Complexity | 1605.022 |
Chemical Identifiers
| CAS Number | 477292-55-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)Cl |
Product Overview
3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 477292-55-0), with molecular formula C22H10ClF3N4O4S and molecular weight 518.01 g/mol. IUPAC: 3-[2-chloro-5-(trifluoromethyl)anilino]-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
Property Insights of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
The XLogP value of 6.47348 indicates that 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The CAS number of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 477292-55-0.
What is the molecular formula of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular formula of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is C22H10ClF3N4O4S.
What is the molecular weight of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular weight of 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 518.01 g/mol.
Where can I buy 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
You can request a quote for 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-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 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-chloro-5-(trifluoromethyl)phenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.