Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 194673-12-6) is a chemical compound with molecular formula C9H10F3NO3 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate, ABLOCK AB-11-5734, 6563AD, ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C9H10F3NO3 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 1.2759 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.06128 |
| Heavy Atoms | 16 |
| Complexity | 346.3986 |
Chemical Identifiers
| CAS Number | 194673-12-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1)C(F)(F)F |
Product Overview
Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 194673-12-6), with molecular formula C9H10F3NO3 and molecular weight 237.06 g/mol. IUPAC: ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 1.2759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate has 1 hydrogen bond donor(s) and 3 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 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate is 194673-12-6.
What is the molecular formula of Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate is C9H10F3NO3.
What is the molecular weight of Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate is 237.06 g/mol.
Where can I buy Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.