Octoxynol
TL;DR: Octoxynol (CAS 59935-87-4) is a chemical compound with molecular formula C32H58O10 and molecular weight 604.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy](114C)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Also Known As: Octoxynol, 1,2-Dibenzoyloxycyclohexane, 2-(2-(2-(2-(2-(2-(2-(2-(2-(4-(2,4,4-trimethylpentan-2-yl)phenoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethanol, 2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol, 26-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy](25-~14~C)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
| Molecular Formula | C32H58O10 |
|---|---|
| Molecular Weight | 604.41 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 30 |
| Exact Mass | 604.40625 |
| Heavy Atoms | 42 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 59935-87-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC[14CH2]OCCOCCOCCOCCOCCOCCOCCOCCO |
| InChIKey | VJYAJQFKKLYARJ-XTTHZMQRSA-N |
Product Overview
Octoxynol (CAS 59935-87-4), with molecular formula C32H58O10 and molecular weight 604.41 g/mol. IUPAC: 2-[2-[2-[2-[2-[2-[2-[2-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy](114C)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
Chemical Property Profile of Octoxynol
Property Insights of Octoxynol
The XLogP value of 3.4 indicates that Octoxynol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Octoxynol. Following Lipinski's Rule of Five, Octoxynol has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octoxynol?
The CAS number of Octoxynol is 59935-87-4.
What is the molecular formula of Octoxynol?
The molecular formula of Octoxynol is C32H58O10.
What is the molecular weight of Octoxynol?
The molecular weight of Octoxynol is 604.41 g/mol.
Where can I buy Octoxynol?
You can request a quote for Octoxynol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octoxynol?
Yes, KEHONG BIO provides custom synthesis services for Octoxynol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.