4-Bromoisoquinoline N-oxide
TL;DR: 4-Bromoisoquinoline N-oxide (CAS 67805-67-8) 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-2-oxidoisoquinolin-2-ium
Also Known As: 4-bromoisoquinoline 2-oxide, 4-Bromo-isoquinoline 2-oxide, 4-Bromoisoquinoline N-oxide, 4-bromo-2-oxidoisoquinolin-2-ium, 3-Bromoquinolin-5-ol
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 2.2357 |
| Topological Polar Surface Area | 26.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.96329 |
| Heavy Atoms | 12 |
| Complexity | 427.7981 |
Chemical Identifiers
| CAS Number | 67805-67-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=[N+](C=C2Br)[O-] |
Product Overview
4-Bromoisoquinoline N-oxide (CAS 67805-67-8), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 4-bromo-2-oxidoisoquinolin-2-ium.
Chemical Property Profile of 4-Bromoisoquinoline N-oxide
Property Insights of 4-Bromoisoquinoline N-oxide
The XLogP value of 2.2357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromoisoquinoline N-oxide. With a topological polar surface area (TPSA) of 26.94 Ų, 4-Bromoisoquinoline N-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromoisoquinoline N-oxide has 0 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-Bromoisoquinoline N-oxide?
The CAS number of 4-Bromoisoquinoline N-oxide is 67805-67-8.
What is the molecular formula of 4-Bromoisoquinoline N-oxide?
The molecular formula of 4-Bromoisoquinoline N-oxide is C9H6BrNO.
What is the molecular weight of 4-Bromoisoquinoline N-oxide?
The molecular weight of 4-Bromoisoquinoline N-oxide is 222.96 g/mol.
Where can I buy 4-Bromoisoquinoline N-oxide?
You can request a quote for 4-Bromoisoquinoline N-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromoisoquinoline N-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromoisoquinoline N-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.