![[(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate structure](/static/products/5661/566149-19-7.webp)
[(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
TL;DR: [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 566149-19-7) is a chemical compound with molecular formula C11H11F3N2O3S and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate
Also Known As: [(2,2,2-trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate|[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate|EN300-26587940
| Molecular Formula | C11H11F3N2O3S |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 1.6388 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.04425 |
| Heavy Atoms | 20 |
| Complexity | 494.04684 |
Chemical Identifiers
| CAS Number | 566149-19-7 |
|---|---|
| SMILES | CSC1=C(C=CC=N1)C(=O)OCC(=O)NCC(F)(F)F |
Product Overview
[(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate (CAS 566149-19-7), with molecular formula C11H11F3N2O3S and molecular weight 308.04 g/mol. IUPAC: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-methylsulfanylpyridine-3-carboxylate.
Chemical Property Profile of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
Property Insights of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate
The XLogP value of 1.6388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate. Following Lipinski's Rule of Five, [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate 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 [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The CAS number of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 566149-19-7.
What is the molecular formula of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular formula of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is C11H11F3N2O3S.
What is the molecular weight of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
The molecular weight of [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate is 308.04 g/mol.
Where can I buy [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
You can request a quote for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [(2,2,2-Trifluoroethyl)carbamoyl]methyl 2-(methylsulfanyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.