5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 17474-27-0) is a chemical compound with molecular formula C13H12O5 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, Isopropylidene p-hydroxybenzylidene malonate, 5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, Malonic acid, (p-hydroxybenzylidene)-, cyclic isopropylidene ester, NCI60_014825
| Molecular Formula | C13H12O5 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 248.06847 |
| Heavy Atoms | 18 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 17474-27-0 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC=C(C=C2)O)C(=O)O1)C |
| InChIKey | JPPNMIXVIYOENU-UHFFFAOYSA-N |
Product Overview
5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 17474-27-0), with molecular formula C13H12O5 and molecular weight 248.07 g/mol. IUPAC: 5-[(4-hydroxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(4-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-(4-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-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(4-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
Frequently Asked Questions
What is the CAS number of 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 17474-27-0.
What is the molecular formula of 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C13H12O5.
What is the molecular weight of 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 248.07 g/mol.
Where can I buy 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(4-Hydroxybenzylidene)-2,2-dimethyl-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 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Hydroxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.