2-Benzyl-1,3-dioxane
TL;DR: 2-Benzyl-1,3-dioxane (CAS 5468-00-8) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-1,3-dioxane
Also Known As: 2-Benzyl-1,3-dioxane, 2-Phenylmethyl-1,3-dioxane, 1,3-Dioxane, 2-(phenylmethyl)-, 2-Benzyl-1,3-dioxan, 1, 2-(phenylmethyl)-
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 135.0 |
Chemical Identifiers
| CAS Number | 5468-00-8 |
|---|---|
| SMILES | C1COC(OC1)CC2=CC=CC=C2 |
| InChIKey | OYXWNUNPFXKSEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-1,3-dioxane (CAS 5468-00-8), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-benzyl-1,3-dioxane.
Chemical Property Profile of 2-Benzyl-1,3-dioxane
Property Insights of 2-Benzyl-1,3-dioxane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Benzyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-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-1,3-dioxane?
The CAS number of 2-Benzyl-1,3-dioxane is 5468-00-8.
What is the molecular formula of 2-Benzyl-1,3-dioxane?
The molecular formula of 2-Benzyl-1,3-dioxane is C11H14O2.
What is the molecular weight of 2-Benzyl-1,3-dioxane?
The molecular weight of 2-Benzyl-1,3-dioxane is 178.10 g/mol.
Where can I buy 2-Benzyl-1,3-dioxane?
You can request a quote for 2-Benzyl-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-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.