5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 85920-63-4) is a chemical compound with molecular formula C8H10O5 and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione, Acetyl meldrum's acid, acetyldimethyldioxanedione, 1,3-Dioxane-4,6-dione, 5-acetyl-2,2-dimethyl-, 1,3-Dioxane-4,6-dione,5-acetyl-2,2-dimethyl-
| Molecular Formula | C8H10O5 |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 0.0277 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.05283 |
| Heavy Atoms | 13 |
| Complexity | 258.25897 |
Chemical Identifiers
| CAS Number | 85920-63-4 |
|---|---|
| SMILES | CC(=O)C1C(=O)OC(OC1=O)(C)C |
Product Overview
5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 85920-63-4), with molecular formula C8H10O5 and molecular weight 186.05 g/mol. IUPAC: 5-acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 0.0277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 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-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione is 85920-63-4.
What is the molecular formula of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione is C8H10O5.
What is the molecular weight of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione is 186.05 g/mol.
Where can I buy 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-Acetyl-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-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.