4-Isoquinolinol
TL;DR: 4-Isoquinolinol (CAS 3336-49-0) 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.
isoquinolin-4-ol
Also Known As: isoquinolin-4-ol, 4-Hydroxyisoquinoline, 4-ISOQUINOLINOL, 4-Isoquinolol, 4-HYDROXY-ISOQUINOLINE
| Molecular Formula | C9H7NO |
|---|---|
| Molecular Weight | 145.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.05276 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 3336-49-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=NC=C2O |
| InChIKey | DXTUTXYCHFWRQC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isoquinolinol (CAS 3336-49-0), with molecular formula C9H7NO and molecular weight 145.05 g/mol. IUPAC: isoquinolin-4-ol.
Chemical Property Profile of 4-Isoquinolinol
Property Insights of 4-Isoquinolinol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoquinolinol. With a topological polar surface area (TPSA) of 33.1 Ų, 4-Isoquinolinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isoquinolinol 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 4-Isoquinolinol?
The CAS number of 4-Isoquinolinol is 3336-49-0.
What is the molecular formula of 4-Isoquinolinol?
The molecular formula of 4-Isoquinolinol is C9H7NO.
What is the molecular weight of 4-Isoquinolinol?
The molecular weight of 4-Isoquinolinol is 145.05 g/mol.
Where can I buy 4-Isoquinolinol?
You can request a quote for 4-Isoquinolinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoquinolinol?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoquinolinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.