6-Nitroquinolin-4(3h)-one
TL;DR: 6-Nitroquinolin-4(3h)-one (CAS 21873-49-4) is a chemical compound with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-3H-quinolin-4-one
Also Known As: 6-nitroquinolin-4(1H)-one, 6-nitro-4-quinolone, 6-nitroquinolin-4(3h)-one, 6-nitro-1H-quinolin-4-one, 6-nitro-3H-quinolin-4-one
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 21873-49-4 |
|---|---|
| SMILES | C1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | LNTXADAGZCZXGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitroquinolin-4(3h)-one (CAS 21873-49-4), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 6-nitro-3H-quinolin-4-one.
Chemical Property Profile of 6-Nitroquinolin-4(3h)-one
Property Insights of 6-Nitroquinolin-4(3h)-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitroquinolin-4(3h)-one. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitroquinolin-4(3h)-one. Following Lipinski's Rule of Five, 6-Nitroquinolin-4(3h)-one has 0 hydrogen bond donor(s) and 4 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 6-Nitroquinolin-4(3h)-one?
The CAS number of 6-Nitroquinolin-4(3h)-one is 21873-49-4.
What is the molecular formula of 6-Nitroquinolin-4(3h)-one?
The molecular formula of 6-Nitroquinolin-4(3h)-one is C9H6N2O3.
What is the molecular weight of 6-Nitroquinolin-4(3h)-one?
The molecular weight of 6-Nitroquinolin-4(3h)-one is 190.04 g/mol.
Where can I buy 6-Nitroquinolin-4(3h)-one?
You can request a quote for 6-Nitroquinolin-4(3h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitroquinolin-4(3h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitroquinolin-4(3h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.