Triisopropyl-s-trioxane
TL;DR: Triisopropyl-s-trioxane (CAS 7580-12-3) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tri(propan-2-yl)-1,3,5-trioxane
Also Known As: Sunsubly B, 2,4,6-Triisopropyl-1,3,5-trioxane, Triisopropyl-s-trioxane, paraisobutyraldehyde, SUNSUBLY
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 7580-12-3 |
|---|---|
| SMILES | CC(C)C1OC(OC(O1)C(C)C)C(C)C |
| InChIKey | XYIANCZIPATGDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Triisopropyl-s-trioxane (CAS 7580-12-3), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: 2,4,6-tri(propan-2-yl)-1,3,5-trioxane.
Chemical Property Profile of Triisopropyl-s-trioxane
Property Insights of Triisopropyl-s-trioxane
The XLogP value of 4.0 indicates that Triisopropyl-s-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, Triisopropyl-s-trioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Triisopropyl-s-trioxane 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 Triisopropyl-s-trioxane?
The CAS number of Triisopropyl-s-trioxane is 7580-12-3.
What is the molecular formula of Triisopropyl-s-trioxane?
The molecular formula of Triisopropyl-s-trioxane is C12H24O3.
What is the molecular weight of Triisopropyl-s-trioxane?
The molecular weight of Triisopropyl-s-trioxane is 216.17 g/mol.
Where can I buy Triisopropyl-s-trioxane?
You can request a quote for Triisopropyl-s-trioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisopropyl-s-trioxane?
Yes, KEHONG BIO provides custom synthesis services for Triisopropyl-s-trioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.