(E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
TL;DR: (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate (CAS 714244-31-2) is a chemical compound with molecular formula C22H18N4O5S2 and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H18N4O5S2 |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 5.4441 |
| Topological Polar Surface Area | 135.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.07187 |
| Heavy Atoms | 33 |
| Complexity | 1299.2806 |
Chemical Identifiers
| CAS Number | 714244-31-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate (CAS 714244-31-2), with molecular formula C22H18N4O5S2 and molecular weight 482.07 g/mol. IUPAC: ethyl 5-acetyl-2-[[(E)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
Property Insights of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
The XLogP value of 5.4441 indicates that (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate 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 (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The CAS number of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is 714244-31-2.
What is the molecular formula of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular formula of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is C22H18N4O5S2.
What is the molecular weight of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular weight of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is 482.07 g/mol.
Where can I buy (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
You can request a quote for (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.