![4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate structure](/static/products/7457/745796-53-6.webp)
4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate
TL;DR: 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate (CAS 745796-53-6) is a chemical compound with molecular formula C23H15F3N2O4S and molecular weight 472.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
Also Known As: 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate, [4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate
| Molecular Formula | C23H15F3N2O4S |
|---|---|
| Molecular Weight | 472.07 g/mol |
| LogP | 5.54038 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.07047 |
| Heavy Atoms | 33 |
| Complexity | 1245.3326 |
Chemical Identifiers
| CAS Number | 745796-53-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=CC=CC(=C2)C(F)(F)F)OC(=O)C3=CC=CS3 |
Product Overview
4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate (CAS 745796-53-6), with molecular formula C23H15F3N2O4S and molecular weight 472.07 g/mol. IUPAC: [4-[(E)-2-cyano-3-oxo-3-[3-(trifluoromethyl)anilino]prop-1-enyl]-2-methoxyphenyl] thiophene-2-carboxylate.
Chemical Property Profile of 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate
Property Insights of 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate
The XLogP value of 5.54038 indicates that 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-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 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate?
The CAS number of 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate is 745796-53-6.
What is the molecular formula of 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate?
The molecular formula of 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate is C23H15F3N2O4S.
What is the molecular weight of 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate?
The molecular weight of 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate is 472.07 g/mol.
Where can I buy 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate?
You can request a quote for 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-cyano-2-{[3-(trifluoromethyl)phenyl]carbamoyl}eth-1-en-1-yl)-2-methoxyphenyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.