1,3-Dioxolane-2,2-diacetic acid, diethyl ester
TL;DR: 1,3-Dioxolane-2,2-diacetic acid, diethyl ester (CAS 71491-68-4) is a chemical compound with molecular formula C11H18O6 and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(2-ethoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetate
Also Known As: 1,3-DIOXOLANE-2,2-DIACETIC ACID DIETHYL ESTER, 1,3-Dioxolane-2,2-diacetic acid, diethyl ester, diethyl 2,2'-(1,3-dioxolane-2,2-diyl)diacetate, KST-1B7968, diethyl2,2'-(1,3-dioxolane-2,2-diyl)diacetate
| Molecular Formula | C11H18O6 |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 246.11034 |
| Heavy Atoms | 17 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 71491-68-4 |
|---|---|
| SMILES | CCOC(=O)CC1(OCCO1)CC(=O)OCC |
| InChIKey | YNNQXNJEKFCZLF-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane-2,2-diacetic acid, diethyl ester (CAS 71491-68-4), with molecular formula C11H18O6 and molecular weight 246.11 g/mol. IUPAC: ethyl 2-[2-(2-ethoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetate.
Chemical Property Profile of 1,3-Dioxolane-2,2-diacetic acid, diethyl ester
Property Insights of 1,3-Dioxolane-2,2-diacetic acid, diethyl ester
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane-2,2-diacetic acid, diethyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxolane-2,2-diacetic acid, diethyl ester. Following Lipinski's Rule of Five, 1,3-Dioxolane-2,2-diacetic acid, diethyl ester 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 1,3-Dioxolane-2,2-diacetic acid, diethyl ester?
The CAS number of 1,3-Dioxolane-2,2-diacetic acid, diethyl ester is 71491-68-4.
What is the molecular formula of 1,3-Dioxolane-2,2-diacetic acid, diethyl ester?
The molecular formula of 1,3-Dioxolane-2,2-diacetic acid, diethyl ester is C11H18O6.
What is the molecular weight of 1,3-Dioxolane-2,2-diacetic acid, diethyl ester?
The molecular weight of 1,3-Dioxolane-2,2-diacetic acid, diethyl ester is 246.11 g/mol.
Where can I buy 1,3-Dioxolane-2,2-diacetic acid, diethyl ester?
You can request a quote for 1,3-Dioxolane-2,2-diacetic acid, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane-2,2-diacetic acid, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane-2,2-diacetic acid, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.