4-Acetyl-2-hydroxyisoquinolin-3-one
TL;DR: 4-Acetyl-2-hydroxyisoquinolin-3-one (CAS 65417-65-4) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-2-hydroxyisoquinolin-3-one
Also Known As: 4-acetyl-2-hydroxyisoquinolin-3-one, 4-acetyl-2-hydroxyisoquinolin-3(2H)-one, 1-(3-hydroxy-2-oxido-4-isoquinolinyl)ethanone, Ethanone,1-(3-hydroxy-2-oxido-4-isoquinolinyl), Ethanone, 1-(3-hydroxy-2-oxido-4-isoquinolinyl)-
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.4414 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 598.2948 |
Chemical Identifiers
| CAS Number | 65417-65-4 |
|---|---|
| SMILES | CC(=O)C1=C2C=CC=CC2=CN(C1=O)O |
Product Overview
4-Acetyl-2-hydroxyisoquinolin-3-one (CAS 65417-65-4), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 4-acetyl-2-hydroxyisoquinolin-3-one.
Chemical Property Profile of 4-Acetyl-2-hydroxyisoquinolin-3-one
Property Insights of 4-Acetyl-2-hydroxyisoquinolin-3-one
The XLogP value of 1.4414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetyl-2-hydroxyisoquinolin-3-one. With a topological polar surface area (TPSA) of 59.3 Ų, 4-Acetyl-2-hydroxyisoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetyl-2-hydroxyisoquinolin-3-one 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 4-Acetyl-2-hydroxyisoquinolin-3-one?
The CAS number of 4-Acetyl-2-hydroxyisoquinolin-3-one is 65417-65-4.
What is the molecular formula of 4-Acetyl-2-hydroxyisoquinolin-3-one?
The molecular formula of 4-Acetyl-2-hydroxyisoquinolin-3-one is C11H9NO3.
What is the molecular weight of 4-Acetyl-2-hydroxyisoquinolin-3-one?
The molecular weight of 4-Acetyl-2-hydroxyisoquinolin-3-one is 203.06 g/mol.
Where can I buy 4-Acetyl-2-hydroxyisoquinolin-3-one?
You can request a quote for 4-Acetyl-2-hydroxyisoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-2-hydroxyisoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-2-hydroxyisoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.