Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate
TL;DR: Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate (CAS 64468-61-7) is a chemical compound with molecular formula C16H14F3NO3 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
Also Known As: Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate, Ethyl 1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate, ethyl 1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate, 1,4-Dihydro-1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid ethyl ester, 3-PYRIDINECARBOXYLICACID, 1,4-DIHYDRO-1-METHYL-4-OXO-5-[3-(TRIFLUOROMETHYL)PHENYL]-, ETHYL ESTER
| Molecular Formula | C16H14F3NO3 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0926 |
| Heavy Atoms | 23 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 64468-61-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C=C(C1=O)C2=CC(=CC=C2)C(F)(F)F)C |
| InChIKey | LREAIMREKYLQHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate (CAS 64468-61-7), with molecular formula C16H14F3NO3 and molecular weight 325.09 g/mol. IUPAC: ethyl 1-methyl-4-oxo-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate
Property Insights of Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate
The XLogP value of 3.2 indicates that Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate has 0 hydrogen bond donor(s) and 7 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 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate?
The CAS number of Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate is 64468-61-7.
What is the molecular formula of Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate?
The molecular formula of Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate is C16H14F3NO3.
What is the molecular weight of Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate?
The molecular weight of Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate is 325.09 g/mol.
Where can I buy Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate?
You can request a quote for Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)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 Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-4-oxo-5-(3-(trifluoromethyl)phenyl)pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.