![(E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/578/578699-37-3.png)
(E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 578699-37-3) is a chemical compound with molecular formula C25H27N3O2S3 and molecular weight 497.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-tert-butyl-2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, F3220-0120, ETHYL 6-TERT-BUTYL-2-{[(1E)-2-CYANO-2-[4-(THIOPHEN-2-YL)-1,3-THIAZOL-2-YL]ETH-1-EN-1-YL]AMINO}-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 6-tert-butyl-2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C25H27N3O2S3 |
|---|---|
| Molecular Weight | 497.13 g/mol |
| LogP | 7.23738 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.12653 |
| Heavy Atoms | 33 |
| Complexity | 1206.8138 |
Chemical Identifiers
| CAS Number | 578699-37-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=CS4 |
Product Overview
(E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 578699-37-3), with molecular formula C25H27N3O2S3 and molecular weight 497.13 g/mol. IUPAC: ethyl 6-tert-butyl-2-[[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 7.23738 indicates that (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 8 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 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 578699-37-3.
What is the molecular formula of (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C25H27N3O2S3.
What is the molecular weight of (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 497.13 g/mol.
Where can I buy (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]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 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 6-(tert-butyl)-2-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.