![(E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/488/488708-23-2.png)
(E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: (E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488708-23-2) is a chemical compound with molecular formula C28H25F3N2O4S and molecular weight 542.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 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: (E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, butyl 2-((2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl](2-furyl)}prop-2-enoylam ino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, butyl 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, butyl 2-{[(2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C28H25F3N2O4S |
|---|---|
| Molecular Weight | 542.15 g/mol |
| LogP | 7.40828 |
| Topological Polar Surface Area | 92.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 542.14874 |
| Heavy Atoms | 38 |
| Complexity | 1412.0486 |
Chemical Identifiers
| CAS Number | 488708-23-2 |
|---|---|
| SMILES | CCCCOC(=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
(E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 488708-23-2), with molecular formula C28H25F3N2O4S and molecular weight 542.15 g/mol. IUPAC: butyl 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 (E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of (E)-butyl 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 7.40828 indicates that (E)-butyl 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 (E)-butyl 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, (E)-butyl 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 (E)-butyl 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 (E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 488708-23-2.
What is the molecular formula of (E)-butyl 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 (E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C28H25F3N2O4S.
What is the molecular weight of (E)-butyl 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 (E)-butyl 2-(2-cyano-3-(5-(3-(trifluoromethyl)phenyl)furan-2-yl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 542.15 g/mol.
Where can I buy (E)-butyl 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 (E)-butyl 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 (E)-butyl 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 (E)-butyl 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.