![(2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/372/372502-98-2.png)
(2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
TL;DR: (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 372502-98-2) is a chemical compound with molecular formula C22H14N4O4S and molecular weight 430.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(2-methyl-4-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((2-methyl-4-nitrophenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(2-methyl-4-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, 3-[(2-methyl-4-nitro-phenyl)amino]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H14N4O4S |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 5.1097 |
| Topological Polar Surface Area | 122.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 430.07358 |
| Heavy Atoms | 31 |
| Complexity | 1445.916 |
Chemical Identifiers
| CAS Number | 372502-98-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
(2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 372502-98-2), with molecular formula C22H14N4O4S and molecular weight 430.07 g/mol. IUPAC: (E)-3-(2-methyl-4-nitroanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
Chemical Property Profile of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Property Insights of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 5.1097 indicates that (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile 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 (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile. Following Lipinski's Rule of Five, (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile 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 (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The CAS number of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 372502-98-2.
What is the molecular formula of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular formula of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is C22H14N4O4S.
What is the molecular weight of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
The molecular weight of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 430.07 g/mol.
Where can I buy (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
You can request a quote for (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]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 (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.