![2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate structure](/static/products/3387/338777-44-9.webp)
2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate
TL;DR: 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate (CAS 338777-44-9) is a chemical compound with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
Also Known As: Bionet1_003123, 2-[(3-cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate, 5N-828, [(3-cyanothiophen-2-yl)carbamoyl]methyl 2-[3-(trifluoromethyl)phenyl]acetate, [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
| Molecular Formula | C16H11F3N2O3S |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 3.36298 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.04425 |
| Heavy Atoms | 25 |
| Complexity | 824.5178 |
Chemical Identifiers
| CAS Number | 338777-44-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CC(=O)OCC(=O)NC2=C(C=CS2)C#N |
Product Overview
2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate (CAS 338777-44-9), with molecular formula C16H11F3N2O3S and molecular weight 368.04 g/mol. IUPAC: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate.
Chemical Property Profile of 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate
Property Insights of 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate
The XLogP value of 3.36298 indicates that 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate. Following Lipinski's Rule of Five, 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate has 1 hydrogen bond donor(s) and 5 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 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The CAS number of 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate is 338777-44-9.
What is the molecular formula of 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The molecular formula of 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate is C16H11F3N2O3S.
What is the molecular weight of 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate?
The molecular weight of 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate is 368.04 g/mol.
Where can I buy 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate?
You can request a quote for 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Cyano-2-thienyl)amino]-2-oxoethyl 2-[3-(trifluoromethyl)phenyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.