Penoctonium
TL;DR: Penoctonium (CAS 17088-74-3) is a chemical compound with molecular formula C26H50NO2+ and molecular weight 408.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium
Also Known As: Penoctonium, Penoctonium ion, Penoctonium cation, Diethyl(2-hydroxyethyl)octyl ammonium dicyclopentylacetate, 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium
| Molecular Formula | C26H50NO2+ |
|---|---|
| Molecular Weight | 408.38 g/mol |
| LogP | 8.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 408.38416 |
| Heavy Atoms | 29 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 17088-74-3 |
|---|---|
| SMILES | CCCCCCCC[N+](CC)(CC)CCOC(=O)C(C1CCCC1)C2CCCC2 |
| InChIKey | JQVBGTKMTRKHML-UHFFFAOYSA-N |
Product Overview
Penoctonium (CAS 17088-74-3), with molecular formula C26H50NO2+ and molecular weight 408.38 g/mol. IUPAC: 2-(2,2-dicyclopentylacetyl)oxyethyl-diethyl-octylazanium.
Chemical Property Profile of Penoctonium
Property Insights of Penoctonium
The XLogP value of 8.7 indicates that Penoctonium 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Penoctonium has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Penoctonium?
The CAS number of Penoctonium is 17088-74-3.
What is the molecular formula of Penoctonium?
The molecular formula of Penoctonium is C26H50NO2+.
What is the molecular weight of Penoctonium?
The molecular weight of Penoctonium is 408.38 g/mol.
Where can I buy Penoctonium?
You can request a quote for Penoctonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Penoctonium?
Yes, KEHONG BIO provides custom synthesis services for Penoctonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.