1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide
TL;DR: 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide (CAS 39954-66-0) is a chemical compound with molecular formula C17H13BrN2O3 and molecular weight 372.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-2-quinolin-1-ium-1-ylethanone bromide
Also Known As: 1-(4-nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide, 1-(4-nitro-phenacyl)-quinolinium bromide, 1-(4-nitrophenyl)-2-quinolin-1-ium-1-ylethanone;bromide, 1-(2-(4-Nitrophenyl)-2-oxoethyl)quinolin-1-ium bromide, 1-[2-(4-nitrophenyl)-2-oxoethyl]quinolin-1-ium bromide
| Molecular Formula | C17H13BrN2O3 |
|---|---|
| Molecular Weight | 372.01 g/mol |
| LogP | -0.0776 |
| Topological Polar Surface Area | 64.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.01096 |
| Heavy Atoms | 23 |
| Complexity | 857.8513 |
Chemical Identifiers
| CAS Number | 39954-66-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC=C(C=C3)[N+](=O)[O-].[Br-] |
Product Overview
1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide (CAS 39954-66-0), with molecular formula C17H13BrN2O3 and molecular weight 372.01 g/mol. IUPAC: 1-(4-nitrophenyl)-2-quinolin-1-ium-1-ylethanone bromide.
Chemical Property Profile of 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide
Property Insights of 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide
The XLogP value of -0.0776 indicates that 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide has 0 hydrogen bond donor(s) and 3 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-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide?
The CAS number of 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide is 39954-66-0.
What is the molecular formula of 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide?
The molecular formula of 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide is C17H13BrN2O3.
What is the molecular weight of 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide?
The molecular weight of 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide is 372.01 g/mol.
Where can I buy 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide?
You can request a quote for 1-(4-Nitrophenyl)-2-quinolinium-1-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-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-2-quinolinium-1-ylethan-1-one bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.