(E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
TL;DR: (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate (CAS 586992-50-9) is a chemical compound with molecular formula C20H17N3O3S3 and molecular weight 443.04 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-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4-methylthiophene-3-carboxylate
Also Known As: (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate, ethyl 5-acetyl-2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4-methylthiophene-3-carboxylate
| Molecular Formula | C20H17N3O3S3 |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 5.5974 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.0432 |
| Heavy Atoms | 29 |
| Complexity | 1117.9805 |
Chemical Identifiers
| CAS Number | 586992-50-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)C)N/C=C(\C#N)/C2=NC(=CS2)C3=CC=CS3 |
Product Overview
(E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate (CAS 586992-50-9), with molecular formula C20H17N3O3S3 and molecular weight 443.04 g/mol. IUPAC: ethyl 5-acetyl-2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
Property Insights of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate
The XLogP value of 5.5974 indicates that (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)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 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 9 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-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The CAS number of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is 586992-50-9.
What is the molecular formula of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular formula of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is C20H17N3O3S3.
What is the molecular weight of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
The molecular weight of (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate is 443.04 g/mol.
Where can I buy (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate?
You can request a quote for (E)-ethyl 5-acetyl-2-((2-cyano-2-(4-(thiophen-2-yl)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-(thiophen-2-yl)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-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.