1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate
TL;DR: 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate (CAS 759-24-0) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-tert-butylpropanedioate
Also Known As: Diethyl tert-butylmalonate, Diethyl 2-(tert-butyl)malonate, Diethyl t-butylmalonate, diethyl 2-tert-butylpropanedioate, Diethyltert-butylmalonate
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 759-24-0 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)OCC)C(C)(C)C |
| InChIKey | RJNICNBRGVKNSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate (CAS 759-24-0), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: diethyl 2-tert-butylpropanedioate.
Chemical Property Profile of 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate
Property Insights of 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Diethyl 2-(1,1-dimethylethyl)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 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate?
The CAS number of 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate is 759-24-0.
What is the molecular formula of 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate?
The molecular formula of 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate is C11H20O4.
What is the molecular weight of 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate?
The molecular weight of 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate is 216.14 g/mol.
Where can I buy 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate?
You can request a quote for 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diethyl 2-(1,1-dimethylethyl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.