2-Methyl-2-(4-methylphenyl)-1,3-dioxane
TL;DR: 2-Methyl-2-(4-methylphenyl)-1,3-dioxane (CAS 59356-52-4) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-(4-methylphenyl)-1,3-dioxane
Also Known As: 2-methyl-2-(4-methylphenyl)-1,3-dioxane, 2-methyl-2-p-tolyl-[1,3]dioxane, 1,3-Dioxane, 2-methyl-2-(4-methylphenyl)-, 1,3-Dioxane, 2-methyl-2-(4-methylphenyl)- (9CI)
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 59356-52-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2(OCCCO2)C |
| InChIKey | SVHWGVTWTUENJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-(4-methylphenyl)-1,3-dioxane (CAS 59356-52-4), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: 2-methyl-2-(4-methylphenyl)-1,3-dioxane.
Chemical Property Profile of 2-Methyl-2-(4-methylphenyl)-1,3-dioxane
Property Insights of 2-Methyl-2-(4-methylphenyl)-1,3-dioxane
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-(4-methylphenyl)-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Methyl-2-(4-methylphenyl)-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-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 2-Methyl-2-(4-methylphenyl)-1,3-dioxane?
The CAS number of 2-Methyl-2-(4-methylphenyl)-1,3-dioxane is 59356-52-4.
What is the molecular formula of 2-Methyl-2-(4-methylphenyl)-1,3-dioxane?
The molecular formula of 2-Methyl-2-(4-methylphenyl)-1,3-dioxane is C12H16O2.
What is the molecular weight of 2-Methyl-2-(4-methylphenyl)-1,3-dioxane?
The molecular weight of 2-Methyl-2-(4-methylphenyl)-1,3-dioxane is 192.12 g/mol.
Where can I buy 2-Methyl-2-(4-methylphenyl)-1,3-dioxane?
You can request a quote for 2-Methyl-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 2-Methyl-2-(4-methylphenyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(4-methylphenyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.