1,3-Dioxane, 5,5-diethyl-2-hexyl-
TL;DR: 1,3-Dioxane, 5,5-diethyl-2-hexyl- (CAS 500346-71-4) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-2-hexyl-1,3-dioxane
Also Known As: 5,5-diethyl-2-hexyl-1,3-dioxane, 1,3-DIOXANE, 5,5-DIETHYL-2-HEXYL-, 1,3-Dioxane, 5,5-diethyl-2-hexyl- (9CI)
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 500346-71-4 |
|---|---|
| SMILES | CCCCCCC1OCC(CO1)(CC)CC |
| InChIKey | PCWFBIUMTGUNPT-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 5,5-diethyl-2-hexyl- (CAS 500346-71-4), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 5,5-diethyl-2-hexyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 5,5-diethyl-2-hexyl-
Property Insights of 1,3-Dioxane, 5,5-diethyl-2-hexyl-
The XLogP value of 4.6 indicates that 1,3-Dioxane, 5,5-diethyl-2-hexyl- 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, 5,5-diethyl-2-hexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 5,5-diethyl-2-hexyl- 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, 5,5-diethyl-2-hexyl-?
The CAS number of 1,3-Dioxane, 5,5-diethyl-2-hexyl- is 500346-71-4.
What is the molecular formula of 1,3-Dioxane, 5,5-diethyl-2-hexyl-?
The molecular formula of 1,3-Dioxane, 5,5-diethyl-2-hexyl- is C14H28O2.
What is the molecular weight of 1,3-Dioxane, 5,5-diethyl-2-hexyl-?
The molecular weight of 1,3-Dioxane, 5,5-diethyl-2-hexyl- is 228.21 g/mol.
Where can I buy 1,3-Dioxane, 5,5-diethyl-2-hexyl-?
You can request a quote for 1,3-Dioxane, 5,5-diethyl-2-hexyl- 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, 5,5-diethyl-2-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 5,5-diethyl-2-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.