6-Bromoquinoline 1-oxide
TL;DR: 6-Bromoquinoline 1-oxide (CAS 1050-82-4) 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.
6-bromo-1-oxidoquinolin-1-ium
Also Known As: 6-bromoquinoline 1-oxide, 6-bromo-1-oxidoquinolin-1-ium, Quinoline, 6-bromo-, 1-oxide, 6-bromoquinoline N-oxide, 6-Bromoquinoline-N-oxide
| Molecular Formula | C9H6BrNO |
|---|---|
| Molecular Weight | 222.96 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 222.96329 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 1050-82-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2)Br)[N+](=C1)[O-] |
| InChIKey | PSZUKCUBGTVVPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Bromoquinoline 1-oxide (CAS 1050-82-4), with molecular formula C9H6BrNO and molecular weight 222.96 g/mol. IUPAC: 6-bromo-1-oxidoquinolin-1-ium.
Chemical Property Profile of 6-Bromoquinoline 1-oxide
Property Insights of 6-Bromoquinoline 1-oxide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromoquinoline 1-oxide. With a topological polar surface area (TPSA) of 25.5 Ų, 6-Bromoquinoline 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Bromoquinoline 1-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 6-Bromoquinoline 1-oxide?
The CAS number of 6-Bromoquinoline 1-oxide is 1050-82-4.
What is the molecular formula of 6-Bromoquinoline 1-oxide?
The molecular formula of 6-Bromoquinoline 1-oxide is C9H6BrNO.
What is the molecular weight of 6-Bromoquinoline 1-oxide?
The molecular weight of 6-Bromoquinoline 1-oxide is 222.96 g/mol.
Where can I buy 6-Bromoquinoline 1-oxide?
You can request a quote for 6-Bromoquinoline 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Bromoquinoline 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromoquinoline 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.