Diethyl 1,3-dioxolane-4,5-dicarboxylate
TL;DR: Diethyl 1,3-dioxolane-4,5-dicarboxylate (CAS 159652-88-7) is a chemical compound with molecular formula C9H14O6 and molecular weight 218.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1,3-dioxolane-4,5-dicarboxylate
Also Known As: Diethyl 1,3-dioxolane-4,5-dicarboxylate, Diethyl 1,3-dioxolane-4,5-dicarboxylate #, 4,5-DIETHYL 1,3-DIOXOLANE-4,5-DICARBOXYLATE, (4RS,5SR)-4,5-bis(ethoxycarbonyl)-1,3-dioxolane, [1,3]Dioxolane-4,5-dicarboxylic acid, diethyl ester
| Molecular Formula | C9H14O6 |
|---|---|
| Molecular Weight | 218.08 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 218.07904 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 159652-88-7 |
|---|---|
| SMILES | CCOC(=O)C1C(OCO1)C(=O)OCC |
| InChIKey | IAIKNIATGSJSLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1,3-dioxolane-4,5-dicarboxylate (CAS 159652-88-7), with molecular formula C9H14O6 and molecular weight 218.08 g/mol. IUPAC: diethyl 1,3-dioxolane-4,5-dicarboxylate.
Chemical Property Profile of Diethyl 1,3-dioxolane-4,5-dicarboxylate
Property Insights of Diethyl 1,3-dioxolane-4,5-dicarboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,3-dioxolane-4,5-dicarboxylate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1,3-dioxolane-4,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1,3-dioxolane-4,5-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 1,3-dioxolane-4,5-dicarboxylate?
The CAS number of Diethyl 1,3-dioxolane-4,5-dicarboxylate is 159652-88-7.
What is the molecular formula of Diethyl 1,3-dioxolane-4,5-dicarboxylate?
The molecular formula of Diethyl 1,3-dioxolane-4,5-dicarboxylate is C9H14O6.
What is the molecular weight of Diethyl 1,3-dioxolane-4,5-dicarboxylate?
The molecular weight of Diethyl 1,3-dioxolane-4,5-dicarboxylate is 218.08 g/mol.
Where can I buy Diethyl 1,3-dioxolane-4,5-dicarboxylate?
You can request a quote for Diethyl 1,3-dioxolane-4,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,3-dioxolane-4,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,3-dioxolane-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.