(Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
TL;DR: (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 575471-59-9) is a chemical compound with molecular formula C23H20N4O6S2 and molecular weight 512.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[[(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-({(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)-3-methylthiophene-2,4-dicarboxylate, diethyl 5-[[(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C23H20N4O6S2 |
|---|---|
| Molecular Weight | 512.08 g/mol |
| LogP | 5.4182 |
| Topological Polar Surface Area | 144.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.0824 |
| Heavy Atoms | 35 |
| Complexity | 1352.2163 |
Chemical Identifiers
| CAS Number | 575471-59-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)N/C=C(/C#N)\C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
(Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate (CAS 575471-59-9), with molecular formula C23H20N4O6S2 and molecular weight 512.08 g/mol. IUPAC: diethyl 5-[[(Z)-2-cyano-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
Property Insights of (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 5.4182 indicates that (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)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 144.45 Ų indicates high polarity, suggesting (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)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)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The CAS number of (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 575471-59-9.
What is the molecular formula of (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is C23H20N4O6S2.
What is the molecular weight of (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate is 512.08 g/mol.
Where can I buy (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)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)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-diethyl 5-((2-cyano-2-(4-(3-nitrophenyl)thiazol-2-yl)vinyl)amino)-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.