1-Hydroxyisoquinoline 2-oxide
TL;DR: 1-Hydroxyisoquinoline 2-oxide (CAS 212012-74-3) 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.
2-hydroxyisoquinolin-1-one
Also Known As: 2-Hydroxyisoquinolin-1(2H)-one, 1-Hydroxyisoquinoline 2-oxide, Isocarbostyril, 2-hydroxy-, 2-Hydroxyisocarbostyril, 2-hydroxyisoquinolin-1-one
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 212012-74-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN(C2=O)O |
| InChIKey | FPDYOSFKYCMRME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Hydroxyisoquinoline 2-oxide (CAS 212012-74-3), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2-hydroxyisoquinolin-1-one.
Chemical Property Profile of 1-Hydroxyisoquinoline 2-oxide
Property Insights of 1-Hydroxyisoquinoline 2-oxide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxyisoquinoline 2-oxide. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Hydroxyisoquinoline 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxyisoquinoline 2-oxide 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 1-Hydroxyisoquinoline 2-oxide?
The CAS number of 1-Hydroxyisoquinoline 2-oxide is 212012-74-3.
What is the molecular formula of 1-Hydroxyisoquinoline 2-oxide?
The molecular formula of 1-Hydroxyisoquinoline 2-oxide is C9H7NO2.
What is the molecular weight of 1-Hydroxyisoquinoline 2-oxide?
The molecular weight of 1-Hydroxyisoquinoline 2-oxide is 161.05 g/mol.
Where can I buy 1-Hydroxyisoquinoline 2-oxide?
You can request a quote for 1-Hydroxyisoquinoline 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxyisoquinoline 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxyisoquinoline 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.