Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
TL;DR: Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate (CAS 21339-47-9) is a chemical compound with molecular formula C13H24O6 and molecular weight 276.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(2,2-diethoxyethyl)propanedioate
Also Known As: Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate, Diethyl 2-(2,2-diethoxyethyl)malonate, diethyl 2-(2,2-diethoxyethyl)propanedioate, 3,3-Diethoxypropane-1,1-dicarboxylic Acid Diethyl Ester, diethyl 2,2-diethoxyethylmalonate
| Molecular Formula | C13H24O6 |
|---|---|
| Molecular Weight | 276.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 276.1573 |
| Heavy Atoms | 19 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 21339-47-9 |
|---|---|
| SMILES | CCOC(CC(C(=O)OCC)C(=O)OCC)OCC |
| InChIKey | VQUXMFKGQFXVBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate (CAS 21339-47-9), with molecular formula C13H24O6 and molecular weight 276.16 g/mol. IUPAC: diethyl 2-(2,2-diethoxyethyl)propanedioate.
Chemical Property Profile of Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
Property Insights of Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate has 0 hydrogen bond donor(s) and 6 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 3,3-Diethoxypropane-1,1-dicarboxylate?
The CAS number of Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate is 21339-47-9.
What is the molecular formula of Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate?
The molecular formula of Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate is C13H24O6.
What is the molecular weight of Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate?
The molecular weight of Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate is 276.16 g/mol.
Where can I buy Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate?
You can request a quote for Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,3-Diethoxypropane-1,1-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.