硫酸喹乙酮
TL;DR: 硫酸喹乙酮 (CAS 57130-91-3) is a chemical compound with molecular formula C22H20N2O8S and molecular weight 472.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸喹乙酮
bis(1-(8-hydroxyquinolin-5-yl)ethanone);sulfuric acid
Also Known As: Quinacetol sulfate, Quinacetol, Fongorene, Quinacetol [ISO], RISOTER
| Molecular Formula | C22H20N2O8S |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | 3.6332 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 472.09402 |
| Heavy Atoms | 33 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 57130-91-3 |
|---|---|
| SMILES | CC(=O)C1=C2C=CC=NC2=C(C=C1)O.CC(=O)C1=C2C=CC=NC2=C(C=C1)O.OS(=O)(=O)O |
| InChIKey | CDEWHBGYSWJUFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫酸喹乙酮 (CAS 57130-91-3), with molecular formula C22H20N2O8S and molecular weight 472.09 g/mol. IUPAC: bis(1-(8-hydroxyquinolin-5-yl)ethanone);sulfuric acid.
Chemical Property Profile of 硫酸喹乙酮
Property Insights of 硫酸喹乙酮
The XLogP value of 3.6332 indicates that 硫酸喹乙酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting 硫酸喹乙酮 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸喹乙酮 has 4 hydrogen bond donor(s) and 10 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 硫酸喹乙酮?
The CAS number of 硫酸喹乙酮 is 57130-91-3.
What is the molecular formula of 硫酸喹乙酮?
The molecular formula of 硫酸喹乙酮 is C22H20N2O8S.
What is the molecular weight of 硫酸喹乙酮?
The molecular weight of 硫酸喹乙酮 is 472.09 g/mol.
Where can I buy 硫酸喹乙酮?
You can request a quote for 硫酸喹乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸喹乙酮?
Yes, KEHONG BIO provides custom synthesis services for 硫酸喹乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.