(Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile
TL;DR: (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile (CAS 372499-27-9) is a chemical compound with molecular formula C22H13BrClN3O2S and molecular weight 496.96 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-(3-chloro-4-methylanilino)prop-2-enenitrile
Also Known As: (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile, (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-methylanilino)prop-2-enenitrile
| Molecular Formula | C22H13BrClN3O2S |
|---|---|
| Molecular Weight | 496.96 g/mol |
| LogP | 6.6174 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.96005 |
| Heavy Atoms | 30 |
| Complexity | 1401.7678 |
Chemical Identifiers
| CAS Number | 372499-27-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)Br)OC3=O)Cl |
Product Overview
(Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile (CAS 372499-27-9), with molecular formula C22H13BrClN3O2S and molecular weight 496.96 g/mol. IUPAC: (Z)-2-[4-(6-bromo-2-oxochromen-3-yl)-1,3-thiazol-2-yl]-3-(3-chloro-4-methylanilino)prop-2-enenitrile.
Chemical Property Profile of (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile
Property Insights of (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile
The XLogP value of 6.6174 indicates that (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile 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 (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile. Following Lipinski's Rule of Five, (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile 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 (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile?
The CAS number of (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile is 372499-27-9.
What is the molecular formula of (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile?
The molecular formula of (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile is C22H13BrClN3O2S.
What is the molecular weight of (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile?
The molecular weight of (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile is 496.96 g/mol.
Where can I buy (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile?
You can request a quote for (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-(6-bromo-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-chloro-4-methylphenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.