2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione (CAS 15231-78-4) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-phenyl-1,3-dioxane-4,6-dione
Also Known As: 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione, 5-Phenylmeldrum's Acid, 5-Phenyl-Meldrum's acid, PHENYLMELDRUMS ACID, AI3-39040
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.07356 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07356 Da |
| Heavy Atoms | 16 |
| Complexity | 282.0 |
| SMILES | CC1(OC(=O)C(C(=O)O1)C2=CC=CC=C2)C |
| InChIKey | NTUAHNQWHPQAMB-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-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
What is the CAS number of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione is 15231-78-4.
What is the molecular formula of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione is C12H12O4.
What is the molecular weight of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione is 220.07356 g/mol.
Where can I buy 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-5-phenyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.