2,4,6-Triisobutyl-1,3,5-trioxane
TL;DR: 2,4,6-Triisobutyl-1,3,5-trioxane (CAS 68165-40-2) is a chemical compound with molecular formula C15H30O3 and molecular weight 258.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(2-methylpropyl)-1,3,5-trioxane
Also Known As: 2,4,6-Triisobutyl-1,3,5-trioxane, s-Trioxane, 2,4,6-triisobutyl-, 1,3,5-Triisobutyl-2,4,6-trioxane, 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane, 1,3,5-Trioxane, 2,4,6-tris(2-methylpropyl)-
| Molecular Formula | C15H30O3 |
|---|---|
| Molecular Weight | 258.22 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.21948 |
| Heavy Atoms | 18 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 68165-40-2 |
|---|---|
| SMILES | CC(C)CC1OC(OC(O1)CC(C)C)CC(C)C |
| InChIKey | SBVHSWJZXOYLFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Triisobutyl-1,3,5-trioxane (CAS 68165-40-2), with molecular formula C15H30O3 and molecular weight 258.22 g/mol. IUPAC: 2,4,6-tris(2-methylpropyl)-1,3,5-trioxane.
Chemical Property Profile of 2,4,6-Triisobutyl-1,3,5-trioxane
Property Insights of 2,4,6-Triisobutyl-1,3,5-trioxane
The XLogP value of 5.1 indicates that 2,4,6-Triisobutyl-1,3,5-trioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,4,6-Triisobutyl-1,3,5-trioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Triisobutyl-1,3,5-trioxane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,6-Triisobutyl-1,3,5-trioxane?
The CAS number of 2,4,6-Triisobutyl-1,3,5-trioxane is 68165-40-2.
What is the molecular formula of 2,4,6-Triisobutyl-1,3,5-trioxane?
The molecular formula of 2,4,6-Triisobutyl-1,3,5-trioxane is C15H30O3.
What is the molecular weight of 2,4,6-Triisobutyl-1,3,5-trioxane?
The molecular weight of 2,4,6-Triisobutyl-1,3,5-trioxane is 258.22 g/mol.
Where can I buy 2,4,6-Triisobutyl-1,3,5-trioxane?
You can request a quote for 2,4,6-Triisobutyl-1,3,5-trioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Triisobutyl-1,3,5-trioxane?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Triisobutyl-1,3,5-trioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.