(Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate
TL;DR: (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate (CAS 799776-34-4) is a chemical compound with molecular formula C23H14N4O6S and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(Z)-2-cyano-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
Also Known As: (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate, methyl 2-({(Z)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzoate, methyl 2-[[(Z)-2-cyano-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate, Methyl 2-[[2-cyano-2-[4-(6-nitro-2-oxo-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
| Molecular Formula | C23H14N4O6S |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 4.58788 |
| Topological Polar Surface Area | 148.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.06342 |
| Heavy Atoms | 34 |
| Complexity | 1563.7205 |
Chemical Identifiers
| CAS Number | 799776-34-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O |
Product Overview
(Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate (CAS 799776-34-4), with molecular formula C23H14N4O6S and molecular weight 474.06 g/mol. IUPAC: methyl 2-[[(Z)-2-cyano-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate.
Chemical Property Profile of (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate
Property Insights of (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate
The XLogP value of 4.58788 indicates that (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.36 Ų indicates high polarity, suggesting (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate 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 (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate?
The CAS number of (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate is 799776-34-4.
What is the molecular formula of (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular formula of (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate is C23H14N4O6S.
What is the molecular weight of (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular weight of (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate is 474.06 g/mol.
Where can I buy (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate?
You can request a quote for (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.