![Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3080/308096-48-2.webp)
Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 308096-48-2) is a chemical compound with molecular formula C26H21F3N2O4S and molecular weight 514.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, (E)-ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, 685-888-3, Ethyl 2-(((2E)-2-cyano-3-(5-(3-(trifluoromethyl)phenyl)-2-furyl)-2-propenoyl)A mino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-[((2E)-2-CYANO-3-{5-[3-(TRIFLUOROMETHYL)PHENYL]-2-FURYL}-2-PROPENOYL)A MINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C26H21F3N2O4S |
|---|---|
| Molecular Weight | 514.12 g/mol |
| LogP | 6.62808 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.11743 |
| Heavy Atoms | 36 |
| Complexity | 1378.4568 |
Chemical Identifiers
| CAS Number | 308096-48-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F)/C#N |
Product Overview
Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 308096-48-2), with molecular formula C26H21F3N2O4S and molecular weight 514.12 g/mol. IUPAC: ethyl 2-[[(E)-2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 6.62808 indicates that Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-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 92.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 308096-48-2.
What is the molecular formula of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C26H21F3N2O4S.
What is the molecular weight of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 514.12 g/mol.
Where can I buy Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-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 Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.