Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
TL;DR: Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 398995-41-0) is a chemical compound with molecular formula C15H16FNO3 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: Bionet2_000742, ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, 9L-506S, ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C15H16FNO3 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 2.2663 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.11142 |
| Heavy Atoms | 20 |
| Complexity | 562.98627 |
Chemical Identifiers
| CAS Number | 398995-41-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1C2=CC=C(C=C2)F)C |
Product Overview
Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 398995-41-0), with molecular formula C15H16FNO3 and molecular weight 277.11 g/mol. IUPAC: ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Property Insights of Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
The XLogP value of 2.2663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate 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 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The CAS number of Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 398995-41-0.
What is the molecular formula of Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular formula of Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is C15H16FNO3.
What is the molecular weight of Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular weight of Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 277.11 g/mol.
Where can I buy Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
You can request a quote for Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-fluorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.