3-Bromoisoquinolin-1(2H)-one
TL;DR: 3-Bromoisoquinolin-1(2H)-one (CAS 24623-16-3) 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.
3-bromo-2H-isoquinolin-1-one
Also Known As: 3-Bromoisoquinolin-1(2H)-one, 3-bromo-2H-isoquinolin-1-one, 3-bromo-1-isoquinolinol, 3-Bromoisoquinolin-1-ol, 3-Bromo-1-hydroxyisoquinoline
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 2.2906 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.96329 |
| Heavy Atoms | 12 |
| Complexity | 475.15738 |
Chemical Identifiers
| CAS Number | 24623-16-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(NC2=O)Br |
Product Overview
3-Bromoisoquinolin-1(2H)-one (CAS 24623-16-3), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 3-bromo-2H-isoquinolin-1-one.
Chemical Property Profile of 3-Bromoisoquinolin-1(2H)-one
Property Insights of 3-Bromoisoquinolin-1(2H)-one
The XLogP value of 2.2906 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromoisoquinolin-1(2H)-one. With a topological polar surface area (TPSA) of 32.86 Ų, 3-Bromoisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromoisoquinolin-1(2H)-one 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-Bromoisoquinolin-1(2H)-one?
The CAS number of 3-Bromoisoquinolin-1(2H)-one is 24623-16-3.
What is the molecular formula of 3-Bromoisoquinolin-1(2H)-one?
The molecular formula of 3-Bromoisoquinolin-1(2H)-one is C9H6BrNO.
What is the molecular weight of 3-Bromoisoquinolin-1(2H)-one?
The molecular weight of 3-Bromoisoquinolin-1(2H)-one is 222.96 g/mol.
Where can I buy 3-Bromoisoquinolin-1(2H)-one?
You can request a quote for 3-Bromoisoquinolin-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromoisoquinolin-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromoisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.