2-Benzyl-5,5-diethyl-1,3-dioxane
TL;DR: 2-Benzyl-5,5-diethyl-1,3-dioxane (CAS 69729-17-5) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5,5-diethyl-1,3-dioxane
Also Known As: phenethyl dodecanoate, 2-benzyl-5,5-diethyl-1,3-dioxane, 1,3-Dioxane,5,5-diethyl-2-(phenylmethyl)-, J3.584.593C
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 69729-17-5 |
|---|---|
| SMILES | CCC1(COC(OC1)CC2=CC=CC=C2)CC |
| InChIKey | NOMKDBLYKDCTNP-UHFFFAOYSA-N |
Product Overview
2-Benzyl-5,5-diethyl-1,3-dioxane (CAS 69729-17-5), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: 2-benzyl-5,5-diethyl-1,3-dioxane.
Chemical Property Profile of 2-Benzyl-5,5-diethyl-1,3-dioxane
Property Insights of 2-Benzyl-5,5-diethyl-1,3-dioxane
The XLogP value of 3.7 indicates that 2-Benzyl-5,5-diethyl-1,3-dioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Benzyl-5,5-diethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5,5-diethyl-1,3-dioxane 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 2-Benzyl-5,5-diethyl-1,3-dioxane?
The CAS number of 2-Benzyl-5,5-diethyl-1,3-dioxane is 69729-17-5.
What is the molecular formula of 2-Benzyl-5,5-diethyl-1,3-dioxane?
The molecular formula of 2-Benzyl-5,5-diethyl-1,3-dioxane is C15H22O2.
What is the molecular weight of 2-Benzyl-5,5-diethyl-1,3-dioxane?
The molecular weight of 2-Benzyl-5,5-diethyl-1,3-dioxane is 234.16 g/mol.
Where can I buy 2-Benzyl-5,5-diethyl-1,3-dioxane?
You can request a quote for 2-Benzyl-5,5-diethyl-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-5,5-diethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-5,5-diethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.