2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile
TL;DR: 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile (CAS 371223-96-0) is a chemical compound with molecular formula C21H11N5O6S and molecular weight 461.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitroanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile, 3-(3-nitroanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 2-[4-(6-nitro-2-oxo-chromen-3-yl)-1,3-thiazol-2-yl]-3-[(3-nitrophenyl)amino]prop-2-enenitrile
| Molecular Formula | C21H11N5O6S |
|---|---|
| Molecular Weight | 461.04 g/mol |
| LogP | 4.70948 |
| Topological Polar Surface Area | 165.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.043 |
| Heavy Atoms | 33 |
| Complexity | 1548.7792 |
Chemical Identifiers
| CAS Number | 371223-96-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O |
Product Overview
2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile (CAS 371223-96-0), with molecular formula C21H11N5O6S and molecular weight 461.04 g/mol. IUPAC: 3-(3-nitroanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile
Property Insights of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile
The XLogP value of 4.70948 indicates that 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 165.2 Ų indicates high polarity, suggesting 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile?
The CAS number of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile is 371223-96-0.
What is the molecular formula of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile?
The molecular formula of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile is C21H11N5O6S.
What is the molecular weight of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile?
The molecular weight of 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile is 461.04 g/mol.
Where can I buy 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile?
You can request a quote for 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)-3-((3-nitrophenyl)amino)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.