1-Chloro-4-hydroxyisoquinoline
TL;DR: 1-Chloro-4-hydroxyisoquinoline (CAS 3336-43-4) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloroisoquinolin-4-ol
Also Known As: 1-chloroisoquinolin-4-ol, 1-Chloro-4-hydroxyisoquinoline, 4-Isoquinolinol, 1-chloro-, 1-Chloroisoquinoline-4-ol, 4-Isoquinolinol,1-chloro-
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.5938 |
| Topological Polar Surface Area | 33.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 387.2981 |
Chemical Identifiers
| CAS Number | 3336-43-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN=C2Cl)O |
Product Overview
1-Chloro-4-hydroxyisoquinoline (CAS 3336-43-4), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 1-chloroisoquinolin-4-ol.
Chemical Property Profile of 1-Chloro-4-hydroxyisoquinoline
Property Insights of 1-Chloro-4-hydroxyisoquinoline
The XLogP value of 2.5938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-4-hydroxyisoquinoline. With a topological polar surface area (TPSA) of 33.12 Ų, 1-Chloro-4-hydroxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-hydroxyisoquinoline 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-Chloro-4-hydroxyisoquinoline?
The CAS number of 1-Chloro-4-hydroxyisoquinoline is 3336-43-4.
What is the molecular formula of 1-Chloro-4-hydroxyisoquinoline?
The molecular formula of 1-Chloro-4-hydroxyisoquinoline is C9H6ClNO.
What is the molecular weight of 1-Chloro-4-hydroxyisoquinoline?
The molecular weight of 1-Chloro-4-hydroxyisoquinoline is 179.01 g/mol.
Where can I buy 1-Chloro-4-hydroxyisoquinoline?
You can request a quote for 1-Chloro-4-hydroxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-hydroxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-hydroxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.