Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate
TL;DR: Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate (CAS 176383-20-3) 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-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: UPCMLD0ENAT5974585:001, BAS 04088245, ethyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, J1.406.709D, VU0054355-2
| 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 | 665.6516 |
Chemical Identifiers
| CAS Number | 176383-20-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1C2=CC(=CC=C2)[N+](=O)[O-])C |
Product Overview
Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate (CAS 176383-20-3), with molecular formula C15H16N2O5 and molecular weight 304.11 g/mol. IUPAC: ethyl 6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate
Property Insights of Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate
The XLogP value of 2.0354 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate. Following Lipinski's Rule of Five, Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate 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 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate?
The CAS number of Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate is 176383-20-3.
What is the molecular formula of Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate?
The molecular formula of Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate is C15H16N2O5.
What is the molecular weight of Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate?
The molecular weight of Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate is 304.11 g/mol.
Where can I buy Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate?
You can request a quote for Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-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 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,4,5,6-tetrahydro-2-methyl-4-(3-nitrophenyl)-6-oxo-3-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.