Diethyl(2,2-dimethylpropanoyl)propanedioate
TL;DR: Diethyl(2,2-dimethylpropanoyl)propanedioate (CAS 25526-84-5) is a chemical compound with molecular formula C12H20O5 and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,2-dimethylpropanoyl)propanedioate
Also Known As: diethyl pivaloylmalonate, diethyl(2,2-dimethylpropanoyl)propanedioate, diethyl 2-(2,2-dimethylpropanoyl)propanedioate, Diethyl (2,2-dimethylpropanoyl)propanedioate, Ethyl 4,4-Dimethyl-2-(ethoxycarbonyl)-3-oxopentanoate
| Molecular Formula | C12H20O5 |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 244.13107 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 25526-84-5 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C(C)(C)C)C(=O)OCC |
| InChIKey | OYQLPNVWHRIXBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl(2,2-dimethylpropanoyl)propanedioate (CAS 25526-84-5), with molecular formula C12H20O5 and molecular weight 244.13 g/mol. IUPAC: diethyl 2-(2,2-dimethylpropanoyl)propanedioate.
Chemical Property Profile of Diethyl(2,2-dimethylpropanoyl)propanedioate
Property Insights of Diethyl(2,2-dimethylpropanoyl)propanedioate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl(2,2-dimethylpropanoyl)propanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl(2,2-dimethylpropanoyl)propanedioate. Following Lipinski's Rule of Five, Diethyl(2,2-dimethylpropanoyl)propanedioate 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 Diethyl(2,2-dimethylpropanoyl)propanedioate?
The CAS number of Diethyl(2,2-dimethylpropanoyl)propanedioate is 25526-84-5.
What is the molecular formula of Diethyl(2,2-dimethylpropanoyl)propanedioate?
The molecular formula of Diethyl(2,2-dimethylpropanoyl)propanedioate is C12H20O5.
What is the molecular weight of Diethyl(2,2-dimethylpropanoyl)propanedioate?
The molecular weight of Diethyl(2,2-dimethylpropanoyl)propanedioate is 244.13 g/mol.
Where can I buy Diethyl(2,2-dimethylpropanoyl)propanedioate?
You can request a quote for Diethyl(2,2-dimethylpropanoyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl(2,2-dimethylpropanoyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(2,2-dimethylpropanoyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.