(E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate (CAS 577962-25-5) is a chemical compound with molecular formula C26H22N4O3S3 and molecular weight 534.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C26H22N4O3S3 |
|---|---|
| Molecular Weight | 534.09 g/mol |
| LogP | 6.95552 |
| Topological Polar Surface Area | 104.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 534.0854 |
| Heavy Atoms | 36 |
| Complexity | 1476.3671 |
Chemical Identifiers
| CAS Number | 577962-25-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)NC2=CC=CC=C2C)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=CS4 |
Product Overview
(E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate (CAS 577962-25-5), with molecular formula C26H22N4O3S3 and molecular weight 534.09 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate
The XLogP value of 6.95552 indicates that (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate has 2 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 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate is 577962-25-5.
What is the molecular formula of (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate is C26H22N4O3S3.
What is the molecular weight of (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate is 534.09 g/mol.
Where can I buy (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-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 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4-methyl-5-(o-tolylcarbamoyl)thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.