Quinacetol
TL;DR: Quinacetol (CAS 2598-31-4) is a chemical compound with molecular formula C11H9NO2 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(8-hydroxyquinolin-5-yl)ethanone
Also Known As: Quinacetol, 1-(8-hydroxyquinolin-5-yl)ethanone, 5-Acetyloxine, Quinacetol sulfate, Quinacetol free base
| Molecular Formula | C11H9NO2 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.06332 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 2598-31-4 |
|---|---|
| SMILES | CC(=O)C1=C2C=CC=NC2=C(C=C1)O |
| InChIKey | HZTCLDNADGMACV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinacetol (CAS 2598-31-4), with molecular formula C11H9NO2 and molecular weight 187.06 g/mol. IUPAC: 1-(8-hydroxyquinolin-5-yl)ethanone.
Chemical Property Profile of Quinacetol
Property Insights of Quinacetol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinacetol. With a topological polar surface area (TPSA) of 50.2 Ų, Quinacetol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinacetol has 1 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 Quinacetol?
The CAS number of Quinacetol is 2598-31-4.
What is the molecular formula of Quinacetol?
The molecular formula of Quinacetol is C11H9NO2.
What is the molecular weight of Quinacetol?
The molecular weight of Quinacetol is 187.06 g/mol.
Where can I buy Quinacetol?
You can request a quote for Quinacetol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinacetol?
Yes, KEHONG BIO provides custom synthesis services for Quinacetol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.