2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate
TL;DR: 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate (CAS 431069-18-0) is a chemical compound with molecular formula C18H12N2O5 and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-nitrophenyl)-2-oxoethyl] quinoline-2-carboxylate
Also Known As: 2-(3-nitrophenyl)-2-oxoethyl quinoline-2-carboxylate, VU0510803-1, [2-(3-nitrophenyl)-2-oxoethyl] quinoline-2-carboxylate, F3157-0091
| Molecular Formula | C18H12N2O5 |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 3.1827 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.07462 |
| Heavy Atoms | 25 |
| Complexity | 983.8722 |
Chemical Identifiers
| CAS Number | 431069-18-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate (CAS 431069-18-0), with molecular formula C18H12N2O5 and molecular weight 336.07 g/mol. IUPAC: [2-(3-nitrophenyl)-2-oxoethyl] quinoline-2-carboxylate.
Chemical Property Profile of 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate
Property Insights of 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate
The XLogP value of 3.1827 indicates that 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate has 0 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-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate?
The CAS number of 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate is 431069-18-0.
What is the molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate?
The molecular formula of 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate is C18H12N2O5.
What is the molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate?
The molecular weight of 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate is 336.07 g/mol.
Where can I buy 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate?
You can request a quote for 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)-2-oxoethyl quinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.