5,6-Quinolinedione
TL;DR: 5,6-Quinolinedione (CAS 7467-33-6) is a chemical compound with molecular formula C9H5NO2 and molecular weight 159.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinoline-5,6-dione
Also Known As: 5,6-Quinolinedione, quinoline-5,6-dione, quinoline-5,6-quinone, NCI60_003749, RefChem:101231
| Molecular Formula | C9H5NO2 |
|---|---|
| Molecular Weight | 159.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.03203 |
| Heavy Atoms | 12 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 7467-33-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)C2=O)N=C1 |
| InChIKey | YLSMOFSAPNMDOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Quinolinedione (CAS 7467-33-6), with molecular formula C9H5NO2 and molecular weight 159.03 g/mol. IUPAC: quinoline-5,6-dione.
Chemical Property Profile of 5,6-Quinolinedione
Property Insights of 5,6-Quinolinedione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Quinolinedione. With a topological polar surface area (TPSA) of 47.0 Ų, 5,6-Quinolinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Quinolinedione 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 5,6-Quinolinedione?
The CAS number of 5,6-Quinolinedione is 7467-33-6.
What is the molecular formula of 5,6-Quinolinedione?
The molecular formula of 5,6-Quinolinedione is C9H5NO2.
What is the molecular weight of 5,6-Quinolinedione?
The molecular weight of 5,6-Quinolinedione is 159.03 g/mol.
Where can I buy 5,6-Quinolinedione?
You can request a quote for 5,6-Quinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Quinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Quinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.