(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
TL;DR: (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate (CAS 85513-98-0) is a chemical compound with molecular formula C10H16O5 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
Also Known As: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate, 1,2-isopropylidene glyceryl-3-acetoacetate, Butanoic acid, 3-oxo-, (2,2-dimethyl-1,3-dioxolan-4-yl)methyl ester
| Molecular Formula | C10H16O5 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 216.09978 |
| Heavy Atoms | 15 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 85513-98-0 |
|---|---|
| SMILES | CC(=O)CC(=O)OCC1COC(O1)(C)C |
| InChIKey | NDVUSXXXHPDWSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate (CAS 85513-98-0), with molecular formula C10H16O5 and molecular weight 216.10 g/mol. IUPAC: (2,2-dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate.
Chemical Property Profile of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
Property Insights of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate. Following Lipinski's Rule of Five, (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate 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 (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate?
The CAS number of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate is 85513-98-0.
What is the molecular formula of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate?
The molecular formula of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate is C10H16O5.
What is the molecular weight of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate?
The molecular weight of (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate is 216.10 g/mol.
Where can I buy (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate?
You can request a quote for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.