![2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide structure](/static/products/5670/56708-70-4.webp)
2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide
TL;DR: 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide (CAS 56708-70-4) 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.
1-(4-bromophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide
Also Known As: 4'-bromophenacylammonium bromide, 4-Bromophenacylisoquinolinium bromide, 2-[2-(4-bromophenyl)-2-oxoethyl]isoquinolinium bromide, 1-(4-bromophenyl)-2-isoquinolin-2-yl-ethanone Bromide, 2-(2-(4-bromophenyl)-2-oxoethyl)isoquinolin-2-ium 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 | 769.1019 |
Chemical Identifiers
| CAS Number | 56708-70-4 |
|---|---|
| SMILES | C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=C(C=C3)Br.[Br-] |
Product Overview
2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide (CAS 56708-70-4), with molecular formula C17H13Br2NO and molecular weight 404.94 g/mol. IUPAC: 1-(4-bromophenyl)-2-isoquinolin-2-ium-2-ylethanone bromide.
Chemical Property Profile of 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide
Property Insights of 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide
The XLogP value of 0.7767 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide. With a topological polar surface area (TPSA) of 20.95 Ų, 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium 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 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide?
The CAS number of 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide is 56708-70-4.
What is the molecular formula of 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide?
The molecular formula of 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide is C17H13Br2NO.
What is the molecular weight of 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide?
The molecular weight of 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide is 404.94 g/mol.
Where can I buy 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide?
You can request a quote for 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-(4-Bromophenyl)-2-oxoethyl]isoquinolinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.