1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide
TL;DR: 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide (CAS 218456-67-8) is a chemical compound with molecular formula C17H12BrF2NO and molecular weight 363.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-difluorophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide
Also Known As: 1-(2,6-difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide, 1-(2,6-difluorophenyl)-2-isoquinolin-2-yl-ethanone Bromide, 1-(2,6-difluorophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide, 1-(2,6-difluorophenyl)-2-isoquinolin-2-ium-2-ylethanone;bromide, 2-[2-(2,6-difluorophenyl)-2-oxoethyl]isoquinolin-2-ium bromide
| Molecular Formula | C17H12BrF2NO |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 0.2924 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.00702 |
| Heavy Atoms | 22 |
| Complexity | 815.50684 |
Chemical Identifiers
| CAS Number | 218456-67-8 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=C(C=CC=C3F)F.[Br-] |
Product Overview
1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide (CAS 218456-67-8), with molecular formula C17H12BrF2NO and molecular weight 363.01 g/mol. IUPAC: 1-(2,6-difluorophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide.
Chemical Property Profile of 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide
Property Insights of 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide
The XLogP value of 0.2924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide. With a topological polar surface area (TPSA) of 20.95 Ų, 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one 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 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide?
The CAS number of 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide is 218456-67-8.
What is the molecular formula of 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide?
The molecular formula of 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide is C17H12BrF2NO.
What is the molecular weight of 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide?
The molecular weight of 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide is 363.01 g/mol.
Where can I buy 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide?
You can request a quote for 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-Difluorophenyl)-2-isoquinolinium-2-ylethan-1-one bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.