Penoctonium Bromide
TL;DR: Penoctonium Bromide (CAS 17088-72-1) is a chemical compound with molecular formula C26H50BrNO2 and molecular weight 487.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Penoctonium Bromide
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium bromide
Also Known As: Penoctonium Bromide, Penoctonium, Penoctonii bromidum, Bromuro de penoctonio, Bromure de penoctonium
| Molecular Formula | C26H50BrNO2 |
|---|---|
| Molecular Weight | 487.30 g/mol |
| LogP | 3.75 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 487.3025 |
| Heavy Atoms | 30 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 17088-72-1 |
|---|---|
| SMILES | CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2.[Br-] |
| InChIKey | DWUPDLOTOYWYQT-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Penoctonium Bromide (CAS 17088-72-1), with molecular formula C26H50BrNO2 and molecular weight 487.30 g/mol. IUPAC: 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium bromide.
Chemical Property Profile of Penoctonium Bromide
Property Insights of Penoctonium Bromide
The XLogP value of 3.75 indicates that Penoctonium Bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Penoctonium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Penoctonium 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 Penoctonium Bromide?
The CAS number of Penoctonium Bromide is 17088-72-1.
What is the molecular formula of Penoctonium Bromide?
The molecular formula of Penoctonium Bromide is C26H50BrNO2.
What is the molecular weight of Penoctonium Bromide?
The molecular weight of Penoctonium Bromide is 487.30 g/mol.
Where can I buy Penoctonium Bromide?
You can request a quote for Penoctonium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penoctonium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Penoctonium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.