quinoline-2,4(1H,3H)-dione
TL;DR: quinoline-2,4(1H,3H)-dione (CAS 633336-01-3) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-quinoline-2,4-dione
Also Known As: Quinoline-2,4(1H,3H)-dione, 1H-quinoline-2,4-dione, quinoline-2,4-dione, 4-Hydroxyquinolin-2(1H)-one, 2,4-Dihydroxyquinoline
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.2115 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 357.3011 |
Chemical Identifiers
| CAS Number | 633336-01-3 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2NC1=O |
Product Overview
quinoline-2,4(1H,3H)-dione (CAS 633336-01-3), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 1H-quinoline-2,4-dione.
Chemical Property Profile of quinoline-2,4(1H,3H)-dione
Property Insights of quinoline-2,4(1H,3H)-dione
The XLogP value of 1.2115 suggests moderate lipophilicity, balancing water solubility and membrane permeability for quinoline-2,4(1H,3H)-dione. With a topological polar surface area (TPSA) of 46.17 Ų, quinoline-2,4(1H,3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, quinoline-2,4(1H,3H)-dione has 1 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 quinoline-2,4(1H,3H)-dione?
The CAS number of quinoline-2,4(1H,3H)-dione is 633336-01-3.
What is the molecular formula of quinoline-2,4(1H,3H)-dione?
The molecular formula of quinoline-2,4(1H,3H)-dione is C9H7NO2.
What is the molecular weight of quinoline-2,4(1H,3H)-dione?
The molecular weight of quinoline-2,4(1H,3H)-dione is 161.05 g/mol.
Where can I buy quinoline-2,4(1H,3H)-dione?
You can request a quote for quinoline-2,4(1H,3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for quinoline-2,4(1H,3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for quinoline-2,4(1H,3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.