3-Quinolinecarbonitrile, 1-oxide
TL;DR: 3-Quinolinecarbonitrile, 1-oxide (CAS 69766-82-1) is a chemical compound with molecular formula C10H6N2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxidoquinolin-1-ium-3-carbonitrile
Also Known As: 3-Cyanoquinoline 1-oxide, quinoline-3-carbonitrile 1-oxide, 3-Quinolinecarbonitrile N-oxide, 3-Quinolinecarbonitrile, 1-oxide, 3-Quinolinecarbonitrile 1-oxide
| Molecular Formula | C10H6N2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04802 |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 69766-82-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=[N+]2[O-])C#N |
| InChIKey | QHJICGGEQGJSCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Quinolinecarbonitrile, 1-oxide (CAS 69766-82-1), with molecular formula C10H6N2O and molecular weight 170.05 g/mol. IUPAC: 1-oxidoquinolin-1-ium-3-carbonitrile.
Chemical Property Profile of 3-Quinolinecarbonitrile, 1-oxide
Property Insights of 3-Quinolinecarbonitrile, 1-oxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarbonitrile, 1-oxide. With a topological polar surface area (TPSA) of 49.3 Ų, 3-Quinolinecarbonitrile, 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinolinecarbonitrile, 1-oxide has 0 hydrogen bond donor(s) and 2 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 3-Quinolinecarbonitrile, 1-oxide?
The CAS number of 3-Quinolinecarbonitrile, 1-oxide is 69766-82-1.
What is the molecular formula of 3-Quinolinecarbonitrile, 1-oxide?
The molecular formula of 3-Quinolinecarbonitrile, 1-oxide is C10H6N2O.
What is the molecular weight of 3-Quinolinecarbonitrile, 1-oxide?
The molecular weight of 3-Quinolinecarbonitrile, 1-oxide is 170.05 g/mol.
Where can I buy 3-Quinolinecarbonitrile, 1-oxide?
You can request a quote for 3-Quinolinecarbonitrile, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarbonitrile, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarbonitrile, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.