3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
TL;DR: 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 477292-09-4) is a chemical compound with molecular formula C21H12BrN3O2S and molecular weight 448.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-bromoanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, 3-(4-bromoanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(4-bromophenyl)amino]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C21H12BrN3O2S |
|---|---|
| Molecular Weight | 448.98 g/mol |
| LogP | 5.65558 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.98337 |
| Heavy Atoms | 28 |
| Complexity | 1283.4973 |
Chemical Identifiers
| CAS Number | 477292-09-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CNC4=CC=C(C=C4)Br)C#N |
Product Overview
3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile (CAS 477292-09-4), with molecular formula C21H12BrN3O2S and molecular weight 448.98 g/mol. IUPAC: 3-(4-bromoanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
Property Insights of 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile
The XLogP value of 5.65558 indicates that 3-((4-bromophenyl)amino)-2-(4-(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 78.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile. Following Lipinski's Rule of Five, 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)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 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The CAS number of 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 477292-09-4.
What is the molecular formula of 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular formula of 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is C21H12BrN3O2S.
What is the molecular weight of 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
The molecular weight of 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile is 448.98 g/mol.
Where can I buy 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
You can request a quote for 3-((4-bromophenyl)amino)-2-(4-(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-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-bromophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.