Quinoline 1-oxide
TL;DR: Quinoline 1-oxide (CAS 1613-37-2) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidoquinolin-1-ium
Also Known As: Quinoline 1-oxide, Quinoline-N-oxide, Quinoline N-oxide, Quinoline oxide, 1-oxidoquinolin-1-ium
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 1613-37-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=[N+]2[O-] |
| InChIKey | GIIWGCBLYNDKBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinoline 1-oxide (CAS 1613-37-2), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 1-oxidoquinolin-1-ium.
Chemical Property Profile of Quinoline 1-oxide
Property Insights of Quinoline 1-oxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinoline 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, Quinoline 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinoline 1-oxide has 0 hydrogen bond donor(s) and 1 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 1-oxide?
The CAS number of Quinoline 1-oxide is 1613-37-2.
What is the molecular formula of Quinoline 1-oxide?
The molecular formula of Quinoline 1-oxide is C9H7NO.
What is the molecular weight of Quinoline 1-oxide?
The molecular weight of Quinoline 1-oxide is 145.05 g/mol.
Where can I buy Quinoline 1-oxide?
You can request a quote for Quinoline 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 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Quinoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.