2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate (CAS 331672-92-5) is a chemical compound with molecular formula C18H12N2O6 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
Also Known As: 2-(4-nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate, [2-(4-nitrophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate, 2-{4-nitrophenyl}-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate, 2-(4-NITROPHENYL)-2-OXOETHYL 2-HYDROXY-4-QUINOLINECARBOXYLATE
| Molecular Formula | C18H12N2O6 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 2.476 |
| Topological Polar Surface Area | 119.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.06955 |
| Heavy Atoms | 26 |
| Complexity | 1068.9816 |
Chemical Identifiers
| CAS Number | 331672-92-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate (CAS 331672-92-5), with molecular formula C18H12N2O6 and molecular weight 352.07 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate
The XLogP value of 2.476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate. The TPSA of 119.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate has 1 hydrogen bond donor(s) and 6 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 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate is 331672-92-5.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate is C18H12N2O6.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate is 352.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl 2-hydroxyquinoline-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.