Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
TL;DR: Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 294853-59-1) is a chemical compound with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, J2.569.154G, ethyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate, 4-(4-Cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester
| Molecular Formula | C16H16N2O3 |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 1.99888 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.1161 |
| Heavy Atoms | 21 |
| Complexity | 638.4811 |
Chemical Identifiers
| CAS Number | 294853-59-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1C2=CC=C(C=C2)C#N)C |
Product Overview
Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate (CAS 294853-59-1), with molecular formula C16H16N2O3 and molecular weight 284.12 g/mol. IUPAC: ethyl 4-(4-cyanophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
Property Insights of Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate
The XLogP value of 1.99888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate has 1 hydrogen bond donor(s) and 4 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-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The CAS number of Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 294853-59-1.
What is the molecular formula of Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular formula of Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is C16H16N2O3.
What is the molecular weight of Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
The molecular weight of Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate is 284.12 g/mol.
Where can I buy Ethyl 4-(4-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
You can request a quote for Ethyl 4-(4-cyanophenyl)-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-cyanophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-cyanophenyl)-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.