3-Bromo-1-phenacyl-quinolinium bromide
TL;DR: 3-Bromo-1-phenacyl-quinolinium bromide (CAS 466684-40-2) is a chemical compound with molecular formula C17H13Br2NO and molecular weight 404.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-bromoquinolin-1-ium-1-yl)-1-phenylethanone bromide
Also Known As: 3-Bromo-1-phenacyl-quinolinium bromide, 3-Bromo-1-(2-oxo-2-phenyl-ethyl)-quinolinium, 2-(3-bromoquinolin-1-yl)-1-phenyl-ethanone Bromide, 2-(3-bromoquinolin-1-ium-1-yl)-1-phenylethanone bromide, 2-(3-bromoquinolin-1-ium-1-yl)-1-phenylethanone;bromide
| Molecular Formula | C17H13Br2NO |
|---|---|
| Molecular Weight | 404.94 g/mol |
| LogP | 0.7767 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.9364 |
| Heavy Atoms | 21 |
| Complexity | 772.1019 |
Chemical Identifiers
| CAS Number | 466684-40-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)Br.[Br-] |
Product Overview
3-Bromo-1-phenacyl-quinolinium bromide (CAS 466684-40-2), with molecular formula C17H13Br2NO and molecular weight 404.94 g/mol. IUPAC: 2-(3-bromoquinolin-1-ium-1-yl)-1-phenylethanone bromide.
Chemical Property Profile of 3-Bromo-1-phenacyl-quinolinium bromide
Property Insights of 3-Bromo-1-phenacyl-quinolinium bromide
The XLogP value of 0.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-1-phenacyl-quinolinium bromide. With a topological polar surface area (TPSA) of 20.95 Ų, 3-Bromo-1-phenacyl-quinolinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-phenacyl-quinolinium bromide 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 3-Bromo-1-phenacyl-quinolinium bromide?
The CAS number of 3-Bromo-1-phenacyl-quinolinium bromide is 466684-40-2.
What is the molecular formula of 3-Bromo-1-phenacyl-quinolinium bromide?
The molecular formula of 3-Bromo-1-phenacyl-quinolinium bromide is C17H13Br2NO.
What is the molecular weight of 3-Bromo-1-phenacyl-quinolinium bromide?
The molecular weight of 3-Bromo-1-phenacyl-quinolinium bromide is 404.94 g/mol.
Where can I buy 3-Bromo-1-phenacyl-quinolinium bromide?
You can request a quote for 3-Bromo-1-phenacyl-quinolinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-phenacyl-quinolinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-phenacyl-quinolinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.