(2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate
TL;DR: (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate (CAS 674816-75-2) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate
Also Known As: (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate, (2-HYDROXYQUINOLIN-3-YL)METHYL 4-NITROBENZOATE, (2-oxo-1,2-dihydroquinolin-3-yl)methyl 4-nitrobenzoate, 4-Nitro-benzoic acid 2-hydroxy-quinolin-3-ylmethyl ester
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 2.7933 |
| Topological Polar Surface Area | 102.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 976.1875 |
Chemical Identifiers
| CAS Number | 674816-75-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C(=O)N2)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate (CAS 674816-75-2), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate.
Chemical Property Profile of (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate
Property Insights of (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate
The XLogP value of 2.7933 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate. The TPSA of 102.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate 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 (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate?
The CAS number of (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate is 674816-75-2.
What is the molecular formula of (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate?
The molecular formula of (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate is C17H12N2O5.
What is the molecular weight of (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate?
The molecular weight of (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate is 324.07 g/mol.
Where can I buy (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate?
You can request a quote for (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (2-oxo-1H-quinolin-3-yl)methyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.