2-Methyl-2-phenyl-1,3-dioxane-4,6-dione
TL;DR: 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione (CAS 58413-46-0) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-phenyl-1,3-dioxane-4,6-dione
Also Known As: 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 2-methyl-2-phenyl-, 1,3-Dioxane-4,6-dione,2-methyl-2-phenyl, 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione #, RefChem:263152
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 58413-46-0 |
|---|---|
| SMILES | CC1(OC(=O)CC(=O)O1)C2=CC=CC=C2 |
| InChIKey | QYBHZOTXTOEBRI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-2-phenyl-1,3-dioxane-4,6-dione (CAS 58413-46-0), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 2-methyl-2-phenyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione
Property Insights of 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 4 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-phenyl-1,3-dioxane-4,6-dione?
The CAS number of 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione is 58413-46-0.
What is the molecular formula of 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione?
The molecular formula of 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione is C11H10O4.
What is the molecular weight of 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione?
The molecular weight of 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione is 206.06 g/mol.
Where can I buy 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione?
You can request a quote for 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione 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-phenyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-phenyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.