Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 6238-95-5) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: MixCom6_002376, BIM-0047613.P001, 2,3-Dihydro-6-ethyl-1,4-benzoxazin-3-on, benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, benzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 3.2157 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 903.7291 |
Chemical Identifiers
| CAS Number | 6238-95-5 |
|---|---|
| SMILES | CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 6238-95-5), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: benzyl 6-methyl-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 3.2157 indicates that Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate. Following Lipinski's Rule of Five, Benzyl 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 Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 6238-95-5.
What is the molecular formula of Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is C20H18N2O5.
What is the molecular weight of Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 366.12 g/mol.
Where can I buy Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Benzyl 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 Benzyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 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.