4-Bromo-1-hydroxyisoquinoline
TL;DR: 4-Bromo-1-hydroxyisoquinoline (CAS 3951-95-9) is a chemical compound with molecular formula C9H6BrNO and molecular weight 222.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2H-isoquinolin-1-one
Also Known As: 4-Bromoisoquinolin-1(2H)-one, 4-BROMOISOQUINOLIN-1-OL, 4-Bromo-1(2H)-isoquinolone, 4-Bromo-1(2H)-isoquinolinone, 4-Bromo-1-hydroxyisoquinoline
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.96329 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 3951-95-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CNC2=O)Br |
| InChIKey | ZOPUFLIYIMVOGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-hydroxyisoquinoline (CAS 3951-95-9), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 4-bromo-2H-isoquinolin-1-one.
Chemical Property Profile of 4-Bromo-1-hydroxyisoquinoline
Property Insights of 4-Bromo-1-hydroxyisoquinoline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1-hydroxyisoquinoline. With a topological polar surface area (TPSA) of 29.1 Ų, 4-Bromo-1-hydroxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1-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 4-Bromo-1-hydroxyisoquinoline?
The CAS number of 4-Bromo-1-hydroxyisoquinoline is 3951-95-9.
What is the molecular formula of 4-Bromo-1-hydroxyisoquinoline?
The molecular formula of 4-Bromo-1-hydroxyisoquinoline is C9H6BrNO.
What is the molecular weight of 4-Bromo-1-hydroxyisoquinoline?
The molecular weight of 4-Bromo-1-hydroxyisoquinoline is 222.96 g/mol.
Where can I buy 4-Bromo-1-hydroxyisoquinoline?
You can request a quote for 4-Bromo-1-hydroxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-hydroxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-hydroxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.