![(2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile structure](/static/products/372/372504-72-8.png)
(2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-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-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 372504-72-8) is a chemical compound with molecular formula C22H13N5O6S and molecular weight 475.06 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-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile, (E)-3-((2-methyl-4-nitrophenyl)amino)-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile, (E)-3-(2-methyl-4-nitroanilino)-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H13N5O6S |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 5.0179 |
| Topological Polar Surface Area | 165.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.05865 |
| Heavy Atoms | 34 |
| Complexity | 1597.616 |
Chemical Identifiers
| CAS Number | 372504-72-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O |
Product Overview
(2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile (CAS 372504-72-8), with molecular formula C22H13N5O6S and molecular weight 475.06 g/mol. IUPAC: (E)-3-(2-methyl-4-nitroanilino)-2-[4-(6-nitro-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-(6-nitro-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-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
The XLogP value of 5.0179 indicates that (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-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 165.2 Ų indicates high polarity, suggesting (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile has 1 hydrogen bond donor(s) and 10 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-(6-nitro-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-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 372504-72-8.
What is the molecular formula of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-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-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is C22H13N5O6S.
What is the molecular weight of (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-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-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile is 475.06 g/mol.
Where can I buy (2E)-3-[(2-methyl-4-nitrophenyl)amino]-2-[4-(6-nitro-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-(6-nitro-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-(6-nitro-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-(6-nitro-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.