![(E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/796/796880-99-4.png)
(E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 796880-99-4) is a chemical compound with molecular formula C27H23N3O2S2 and molecular weight 485.12 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-naphthalen-1-yl-1,3-thiazol-2-yl)ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-({(E)-2-cyano-2-[4-(naphthalen-1-yl)-1,3-thiazol-2-yl]ethenyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[[(E)-2-cyano-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C27H23N3O2S2 |
|---|---|
| Molecular Weight | 485.12 g/mol |
| LogP | 7.05688 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.12317 |
| Heavy Atoms | 34 |
| Complexity | 1436.6036 |
Chemical Identifiers
| CAS Number | 796880-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N/C=C(\C#N)/C3=NC(=CS3)C4=CC=CC5=CC=CC=C54 |
Product Overview
(E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 796880-99-4), with molecular formula C27H23N3O2S2 and molecular weight 485.12 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)ethenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 7.05688 indicates that (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-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 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 7 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-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 796880-99-4.
What is the molecular formula of (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C27H23N3O2S2.
What is the molecular weight of (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 485.12 g/mol.
Where can I buy (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-yl)thiazol-2-yl)vinyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for (E)-ethyl 2-((2-cyano-2-(4-(naphthalen-1-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 2-((2-cyano-2-(4-(naphthalen-1-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 2-((2-cyano-2-(4-(naphthalen-1-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.