(Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 840484-07-3) is a chemical compound with molecular formula C25H19N3O6S2 and molecular weight 521.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-O-ethyl 2-O-methyl 5-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate, 4-ethyl 2-methyl 5-({(Z)-2-cyano-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate, 4-O-ethyl 2-O-methyl 5-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C25H19N3O6S2 |
|---|---|
| Molecular Weight | 521.07 g/mol |
| LogP | 5.2263 |
| Topological Polar Surface Area | 131.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.07153 |
| Heavy Atoms | 36 |
| Complexity | 1605.9865 |
Chemical Identifiers
| CAS Number | 840484-07-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OC)N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
(Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 840484-07-3), with molecular formula C25H19N3O6S2 and molecular weight 521.07 g/mol. IUPAC: 4-O-ethyl 2-O-methyl 5-[[(Z)-2-cyano-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.2263 indicates that (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 840484-07-3.
What is the molecular formula of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C25H19N3O6S2.
What is the molecular weight of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 521.07 g/mol.
Where can I buy (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-ethyl 2-methyl 5-((2-cyano-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.