Fentonium (bromide)
TL;DR: Fentonium (bromide) (CAS 5868-06-4) is a chemical compound with molecular formula C31H34BrNO4 and molecular weight 563.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide
Also Known As: Fentonium bromide, Ketoscilium, fentonium, phenthonium, phentonium
| Molecular Formula | C31H34BrNO4 |
|---|---|
| Molecular Weight | 563.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 563.1671 |
| Heavy Atoms | 37 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 5868-06-4 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[Br-] |
| InChIKey | MPLNGQBULSHWQW-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fentonium (bromide) (CAS 5868-06-4), with molecular formula C31H34BrNO4 and molecular weight 563.17 g/mol. IUPAC: [8-methyl-8-[2-oxo-2-(4-phenylphenyl)ethyl]-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Fentonium (bromide)
Property Insights of Fentonium (bromide)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fentonium (bromide). The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Fentonium (bromide). Following Lipinski's Rule of Five, Fentonium (bromide) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Fentonium (bromide)?
The CAS number of Fentonium (bromide) is 5868-06-4.
What is the molecular formula of Fentonium (bromide)?
The molecular formula of Fentonium (bromide) is C31H34BrNO4.
What is the molecular weight of Fentonium (bromide)?
The molecular weight of Fentonium (bromide) is 563.17 g/mol.
Where can I buy Fentonium (bromide)?
You can request a quote for Fentonium (bromide) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fentonium (bromide)?
Yes, KEHONG BIO provides custom synthesis services for Fentonium (bromide) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.