![Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate structure](/static/products/6946/6946-61-8.webp)
Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
TL;DR: Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate (CAS 6946-61-8) is a chemical compound with molecular formula C13H20O6 and molecular weight 272.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate
Also Known As: NCIOpen2_002371, diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate, diethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate, diethyl 6,9-dioxaspiro[4.4]nonane-7,8-dicarboxylate
| Molecular Formula | C13H20O6 |
|---|---|
| Molecular Weight | 272.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.12598 |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 6946-61-8 |
|---|---|
| SMILES | CCOC(=O)C1C(OC2(O1)CCCC2)C(=O)OCC |
| InChIKey | PRVBXSOGYFNTSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate (CAS 6946-61-8), with molecular formula C13H20O6 and molecular weight 272.13 g/mol. IUPAC: diethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate.
Chemical Property Profile of Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
Property Insights of Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-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 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate?
The CAS number of Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate is 6946-61-8.
What is the molecular formula of Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate?
The molecular formula of Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate is C13H20O6.
What is the molecular weight of Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate?
The molecular weight of Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate is 272.13 g/mol.
Where can I buy Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate?
You can request a quote for Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.