5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane
TL;DR: 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane (CAS 475-23-0) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxane
Also Known As: 5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxane, 5,5-Dimethyl-2-p-tolyl-m-dioxan, 5,5-dimethyl-2- -1,3-dioxane, J1.496.764H, 2-(4-Methylphenyl)-5,5-dimethyl-1,3-dioxane
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 475-23-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2OCC(CO2)(C)C |
| InChIKey | RZKXQWHDPGWAFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane (CAS 475-23-0), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: 5,5-dimethyl-2-(4-methylphenyl)-1,3-dioxane.
Chemical Property Profile of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane
Property Insights of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-(4-methylphenyl)-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 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane?
The CAS number of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane is 475-23-0.
What is the molecular formula of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane?
The molecular formula of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane is C13H18O2.
What is the molecular weight of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane?
The molecular weight of 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane is 206.13 g/mol.
Where can I buy 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane?
You can request a quote for 5,5-Dimethyl-2-(4-methylphenyl)-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 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-(4-methylphenyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.