Quinoline, 3-nitro-, 1-oxide
TL;DR: Quinoline, 3-nitro-, 1-oxide (CAS 7433-86-5) 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.
3-nitro-1-oxidoquinolin-1-ium
Also Known As: 3-Nitroquinoline 1-oxide, Quinoline, 3-nitro-, 1-oxide, 3-nitroquinoline-1-oxide, 3-Nitro-quinoline 1-oxide, 3-nitro-1-oxidoquinolin-1-ium
| Molecular Formula | C9H6N2O3 |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.03784 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 7433-86-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=[N+]2[O-])[N+](=O)[O-] |
| InChIKey | JHPHHDGOLBLRRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinoline, 3-nitro-, 1-oxide (CAS 7433-86-5), with molecular formula C9H6N2O3 and molecular weight 190.04 g/mol. IUPAC: 3-nitro-1-oxidoquinolin-1-ium.
Chemical Property Profile of Quinoline, 3-nitro-, 1-oxide
Property Insights of Quinoline, 3-nitro-, 1-oxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoline, 3-nitro-, 1-oxide. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinoline, 3-nitro-, 1-oxide. Following Lipinski's Rule of Five, Quinoline, 3-nitro-, 1-oxide has 0 hydrogen bond donor(s) and 3 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 Quinoline, 3-nitro-, 1-oxide?
The CAS number of Quinoline, 3-nitro-, 1-oxide is 7433-86-5.
What is the molecular formula of Quinoline, 3-nitro-, 1-oxide?
The molecular formula of Quinoline, 3-nitro-, 1-oxide is C9H6N2O3.
What is the molecular weight of Quinoline, 3-nitro-, 1-oxide?
The molecular weight of Quinoline, 3-nitro-, 1-oxide is 190.04 g/mol.
Where can I buy Quinoline, 3-nitro-, 1-oxide?
You can request a quote for Quinoline, 3-nitro-, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinoline, 3-nitro-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Quinoline, 3-nitro-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.