1,3-Dioxane, 2-butyl-4,4,6-trimethyl-
TL;DR: 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- (CAS 54546-26-8) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-4,4,6-trimethyl-1,3-dioxane
Also Known As: 2-Butyl-4,4,6-trimethyl-1,3-dioxane, 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-, Dibenzyl hydrogen dithiophosphate, 1,3-Dioxane,2-butyl-4,4,6-trimethyl, 2-Butyl-4 4 6-trimethyl-1 3-dioxane
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 54546-26-8 |
|---|---|
| SMILES | CCCCC1OC(CC(O1)(C)C)C |
| InChIKey | QUBNQDBPPTZYJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 2-butyl-4,4,6-trimethyl- (CAS 54546-26-8), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: 2-butyl-4,4,6-trimethyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-
Property Insights of 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-
The XLogP value of 3.1 indicates that 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- has 0 hydrogen bond donor(s) and 2 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 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-?
The CAS number of 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- is 54546-26-8.
What is the molecular formula of 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-?
The molecular formula of 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- is C11H22O2.
What is the molecular weight of 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-?
The molecular weight of 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- is 186.16 g/mol.
Where can I buy 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-?
You can request a quote for 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 2-butyl-4,4,6-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 2-butyl-4,4,6-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.