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Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate
TL;DR: Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate (CAS 27678-86-0) is a chemical compound with molecular formula C12H20O6 and molecular weight 260.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]propanedioate
Also Known As: diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]propanedioate, diethyl[2-(1,3-dioxolan-2-yl)ethyl]propanedioate, J1.622.019A, diethyl [2-(1,3-dioxolan-2-yl)ethyl]malonate, diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate
| Molecular Formula | C12H20O6 |
|---|---|
| Molecular Weight | 260.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 260.12598 |
| Heavy Atoms | 18 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 27678-86-0 |
|---|---|
| SMILES | CCOC(=O)C(CCC1OCCO1)C(=O)OCC |
| InChIKey | DFBVCSDWHKANKQ-UHFFFAOYSA-N |
Product Overview
Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate (CAS 27678-86-0), with molecular formula C12H20O6 and molecular weight 260.13 g/mol. IUPAC: diethyl 2-[2-(1,3-dioxolan-2-yl)ethyl]propanedioate.
Chemical Property Profile of Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate
Property Insights of Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate. Following Lipinski's Rule of Five, Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate 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 [2-(1,3-dioxolan-2-yl)ethyl]propanedioate?
The CAS number of Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate is 27678-86-0.
What is the molecular formula of Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate?
The molecular formula of Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate is C12H20O6.
What is the molecular weight of Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate?
The molecular weight of Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate is 260.13 g/mol.
Where can I buy Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate?
You can request a quote for Diethyl [2-(1,3-dioxolan-2-yl)ethyl]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-(1,3-dioxolan-2-yl)ethyl]propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [2-(1,3-dioxolan-2-yl)ethyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.