3-Hydroxyisoquinoline
TL;DR: 3-Hydroxyisoquinoline (CAS 1033461-45-8) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2H-isoquinolin-3-one
Also Known As: 3-Hydroxyisoquinoline, Isoquinolin-3-ol, Isoquinolin-3(2H)-one, 3-Isoquinolinol, 2H-isoquinolin-3-one
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.5281 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 430.51083 |
Chemical Identifiers
| CAS Number | 1033461-45-8 |
|---|---|
| SMILES | C1=CC2=CC(=O)NC=C2C=C1 |
Product Overview
3-Hydroxyisoquinoline (CAS 1033461-45-8), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: 2H-isoquinolin-3-one.
Chemical Property Profile of 3-Hydroxyisoquinoline
Property Insights of 3-Hydroxyisoquinoline
The XLogP value of 1.5281 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyisoquinoline. With a topological polar surface area (TPSA) of 32.86 Ų, 3-Hydroxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxyisoquinoline has 1 hydrogen bond donor(s) and 1 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 3-Hydroxyisoquinoline?
The CAS number of 3-Hydroxyisoquinoline is 1033461-45-8.
What is the molecular formula of 3-Hydroxyisoquinoline?
The molecular formula of 3-Hydroxyisoquinoline is C9H7NO.
What is the molecular weight of 3-Hydroxyisoquinoline?
The molecular weight of 3-Hydroxyisoquinoline is 145.05 g/mol.
Where can I buy 3-Hydroxyisoquinoline?
You can request a quote for 3-Hydroxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.