Diethyl(2,2-dimethylpropyl)propanedioate
TL;DR: Diethyl(2,2-dimethylpropyl)propanedioate (CAS 53561-63-0) is a chemical compound with molecular formula C12H22O4 and molecular weight 230.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,2-dimethylpropyl)propanedioate
Also Known As: Diethyl 2-neopentylmalonate, diethyl(2,2-dimethylpropyl)propanedioate, Diethyl (2,2-dimethylpropyl)malonate, neopentyl-malonic acid diethyl ester, diethyl 2-(2,2-dimethylpropyl)propanedioate
| Molecular Formula | C12H22O4 |
|---|---|
| Molecular Weight | 230.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 230.15181 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 53561-63-0 |
|---|---|
| SMILES | CCOC(=O)C(CC(C)(C)C)C(=O)OCC |
| InChIKey | LPTRPYKRNYNINY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl(2,2-dimethylpropyl)propanedioate (CAS 53561-63-0), with molecular formula C12H22O4 and molecular weight 230.15 g/mol. IUPAC: diethyl 2-(2,2-dimethylpropyl)propanedioate.
Chemical Property Profile of Diethyl(2,2-dimethylpropyl)propanedioate
Property Insights of Diethyl(2,2-dimethylpropyl)propanedioate
The XLogP value of 3.0 indicates that Diethyl(2,2-dimethylpropyl)propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl(2,2-dimethylpropyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl(2,2-dimethylpropyl)propanedioate 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 Diethyl(2,2-dimethylpropyl)propanedioate?
The CAS number of Diethyl(2,2-dimethylpropyl)propanedioate is 53561-63-0.
What is the molecular formula of Diethyl(2,2-dimethylpropyl)propanedioate?
The molecular formula of Diethyl(2,2-dimethylpropyl)propanedioate is C12H22O4.
What is the molecular weight of Diethyl(2,2-dimethylpropyl)propanedioate?
The molecular weight of Diethyl(2,2-dimethylpropyl)propanedioate is 230.15 g/mol.
Where can I buy Diethyl(2,2-dimethylpropyl)propanedioate?
You can request a quote for Diethyl(2,2-dimethylpropyl)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-dimethylpropyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl(2,2-dimethylpropyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.