ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate
TL;DR: ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate (CAS 352317-40-9) is a chemical compound with molecular formula C20H19F4N3O3S and molecular weight 457.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate
Also Known As: ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate, ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate, ethyl 2-[(3-cyano-4-ethyl-5-methyl-2-thienyl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate, ETHYL 2-[(3-CYANO-4-ETHYL-5-METHYLTHIOPHEN-2-YL)AMINO]-3,3,3-TRIFLUORO-2-[(4-FLUOROPHENYL)FORMAMIDO]PROPANOATE, ethyl N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3,3,3-trifluoro-2-{[(4-fluorophenyl)carbonyl]amino}alaninate
| Molecular Formula | C20H19F4N3O3S |
|---|---|
| Molecular Weight | 457.11 g/mol |
| LogP | 4.2933 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.10834 |
| Heavy Atoms | 31 |
| Complexity | 1012.403 |
Chemical Identifiers
| CAS Number | 352317-40-9 |
|---|---|
| SMILES | CCC1=C(SC(=C1C#N)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C2=CC=C(C=C2)F)C |
Product Overview
ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate (CAS 352317-40-9), with molecular formula C20H19F4N3O3S and molecular weight 457.11 g/mol. IUPAC: ethyl 2-[(3-cyano-4-ethyl-5-methylthiophen-2-yl)amino]-3,3,3-trifluoro-2-[(4-fluorobenzoyl)amino]propanoate.
Chemical Property Profile of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate
Property Insights of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate
The XLogP value of 4.2933 indicates that ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate. Following Lipinski's Rule of Five, ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate?
The CAS number of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate is 352317-40-9.
What is the molecular formula of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate?
The molecular formula of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate is C20H19F4N3O3S.
What is the molecular weight of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate?
The molecular weight of ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate is 457.11 g/mol.
Where can I buy ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate?
You can request a quote for ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((3-cyano-4-ethyl-5-methylthiophen-2-yl)amino)-3,3,3-trifluoro-2-(4-fluorobenzamido)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.