(Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate
TL;DR: (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 866605-53-0) is a chemical compound with molecular formula C25H16N4O8S and molecular weight 532.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(Z)-2-cyano-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
Also Known As: (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate, dimethyl 5-({(Z)-2-cyano-2-[4-(6-nitro-2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[[(Z)-2-cyano-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C25H16N4O8S |
|---|---|
| Molecular Weight | 532.07 g/mol |
| LogP | 4.37448 |
| Topological Polar Surface Area | 174.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.0689 |
| Heavy Atoms | 38 |
| Complexity | 1697.197 |
Chemical Identifiers
| CAS Number | 866605-53-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O)C(=O)OC |
Product Overview
(Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 866605-53-0), with molecular formula C25H16N4O8S and molecular weight 532.07 g/mol. IUPAC: dimethyl 5-[[(Z)-2-cyano-2-[4-(6-nitro-2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate
Property Insights of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate
The XLogP value of 4.37448 indicates that (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.66 Ų indicates high polarity, suggesting (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate?
The CAS number of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate is 866605-53-0.
What is the molecular formula of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular formula of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate is C25H16N4O8S.
What is the molecular weight of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular weight of (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate is 532.07 g/mol.
Where can I buy (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate?
You can request a quote for (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-dimethyl 5-((2-cyano-2-(4-(6-nitro-2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.