Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 313967-69-0) is a chemical compound with molecular formula C15H16N2O5 and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, BAS 00751676, BIM-0029050.P001, ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, J1.406.703E
| Molecular Formula | C15H16N2O5 |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 2.0354 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 304.10593 |
| Heavy Atoms | 22 |
| Complexity | 648.4016 |
Chemical Identifiers
| CAS Number | 313967-69-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1C2=CC=C(C=C2)[N+](=O)[O-])C |
Product Overview
Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 313967-69-0), with molecular formula C15H16N2O5 and molecular weight 304.11 g/mol. IUPAC: ethyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 2.0354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-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 Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 313967-69-0.
What is the molecular formula of Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is C15H16N2O5.
What is the molecular weight of Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 304.11 g/mol.
Where can I buy Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-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 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.