4-Methyl-2-phenyl-1,3-dioxane
TL;DR: 4-Methyl-2-phenyl-1,3-dioxane (CAS 774-44-7) 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.
4-methyl-2-phenyl-1,3-dioxane
Also Known As: 4-Methyl-2-phenyl-1,3-dioxane, 2-Phenyl-4-methyl-1,3-dioxane, 1,3-Dioxane, 4-methyl-2-phenyl-, 4-Methyl-2-phenyl-m-dioxane, m-Dioxane, 4-methyl-2-phenyl-
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 774-44-7 |
|---|---|
| SMILES | CC1CCOC(O1)C2=CC=CC=C2 |
| InChIKey | NJDSRMVYAFOBIZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-2-phenyl-1,3-dioxane (CAS 774-44-7), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 4-methyl-2-phenyl-1,3-dioxane.
Chemical Property Profile of 4-Methyl-2-phenyl-1,3-dioxane
Property Insights of 4-Methyl-2-phenyl-1,3-dioxane
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-phenyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Methyl-2-phenyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-phenyl-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 4-Methyl-2-phenyl-1,3-dioxane?
The CAS number of 4-Methyl-2-phenyl-1,3-dioxane is 774-44-7.
What is the molecular formula of 4-Methyl-2-phenyl-1,3-dioxane?
The molecular formula of 4-Methyl-2-phenyl-1,3-dioxane is C11H14O2.
What is the molecular weight of 4-Methyl-2-phenyl-1,3-dioxane?
The molecular weight of 4-Methyl-2-phenyl-1,3-dioxane is 178.10 g/mol.
Where can I buy 4-Methyl-2-phenyl-1,3-dioxane?
You can request a quote for 4-Methyl-2-phenyl-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 4-Methyl-2-phenyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-phenyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.