5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 15795-58-1) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.06847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(3-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 5-[(3-hydroxyphenyl)methylene]-2,2-dimethyl-, 5-[(3-hydroxyphenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione, Malonic acid, (m-hydroxybenzylidene)-, cyclic isopropylidene ester
Technical Specifications
| Molecular Formula | C13H12O5 |
| Molecular Weight | 248.06847 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.06847 Da |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
| SMILES | CC1(OC(=O)C(=CC2=CC(=CC=C2)O)C(=O)O1)C |
| InChIKey | LCLVJNFWTMYFRL-UHFFFAOYSA-N |
Chemical Property Profile of 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 5 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-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 15795-58-1.
What is the molecular formula of 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C13H12O5.
What is the molecular weight of 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 248.06847 g/mol.
Where can I buy 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(3-Hydroxybenzylidene)-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-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, CoreyChem provides custom synthesis services for 5-(3-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.