5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 1214-54-6) is a chemical compound with molecular formula C13H12O4 and molecular weight 232.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-(phenylmethylene)-1,3-dioxane-4,6-dione, 2-Benzylidenemalonic acid isopropylidene ester, 5B-032, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-(phenylmethylene)-
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H12O4 |
| Molecular Weight | 232.07356 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.07356 Da |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
| SMILES | CC1(OC(=O)C(=CC2=CC=CC=C2)C(=O)O1)C |
| InChIKey | GMOOBZIVAQBVQK-UHFFFAOYSA-N |
Chemical Property Profile of 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzylidene-2,2-dimethyl-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 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione is 1214-54-6.
What is the molecular formula of 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione is C13H12O4.
What is the molecular weight of 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione is 232.07356 g/mol.
Where can I buy 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-Benzylidene-2,2-dimethyl-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 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, CoreyChem provides custom synthesis services for 5-Benzylidene-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.