2,2,5-Trimethyl-1,3-dioxane-4,6-dione
TL;DR: 2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS 3709-18-0) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5-trimethyl-1,3-dioxane-4,6-dione
Also Known As: 2,2,5-Trimethyl-1,3-dioxane-4,6-dione, Methyl Meldrum's acid, Isopropylidene methylmalonate, KJMCAXYHYPDRAV-UHFFFAOYSA-, cycl-Isopropylidene methylmalonate
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 3709-18-0 |
|---|---|
| SMILES | CC1C(=O)OC(OC1=O)(C)C |
| InChIKey | KJMCAXYHYPDRAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5-Trimethyl-1,3-dioxane-4,6-dione (CAS 3709-18-0), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 2,2,5-trimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
Property Insights of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5-Trimethyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2,5-Trimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethyl-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
Frequently Asked Questions
What is the CAS number of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione?
The CAS number of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione is 3709-18-0.
What is the molecular formula of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione is C7H10O4.
What is the molecular weight of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 2,2,5-Trimethyl-1,3-dioxane-4,6-dione is 158.06 g/mol.
Where can I buy 2,2,5-Trimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 2,2,5-Trimethyl-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 2,2,5-Trimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.