Quinaldine, 1-oxide
TL;DR: Quinaldine, 1-oxide (CAS 1076-28-4) is a chemical compound with molecular formula C10H9NO and molecular weight 159.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-oxidoquinolin-1-ium
Also Known As: 2-Methylquinoline N-oxide, 2-Methylquinoline 1-oxide, Quinaldine N-oxide, Quinaldine 1-oxide, Quinaldine, 1-oxide
| Molecular Formula | C10H9NO |
|---|---|
| Molecular Weight | 159.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.06842 |
| Heavy Atoms | 12 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 1076-28-4 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C=C1)[O-] |
| InChIKey | FZJUONUBFWNHNU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinaldine, 1-oxide (CAS 1076-28-4), with molecular formula C10H9NO and molecular weight 159.07 g/mol. IUPAC: 2-methyl-1-oxidoquinolin-1-ium.
Chemical Property Profile of Quinaldine, 1-oxide
Property Insights of Quinaldine, 1-oxide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinaldine, 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, Quinaldine, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinaldine, 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 Quinaldine, 1-oxide?
The CAS number of Quinaldine, 1-oxide is 1076-28-4.
What is the molecular formula of Quinaldine, 1-oxide?
The molecular formula of Quinaldine, 1-oxide is C10H9NO.
What is the molecular weight of Quinaldine, 1-oxide?
The molecular weight of Quinaldine, 1-oxide is 159.07 g/mol.
Where can I buy Quinaldine, 1-oxide?
You can request a quote for Quinaldine, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinaldine, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for Quinaldine, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.