![Diethyl 2-[2-(2-oxiranyl)ethyl]malonate structure](/static/products/217/21746-94-1.png)
Diethyl 2-[2-(2-oxiranyl)ethyl]malonate
TL;DR: Diethyl 2-[2-(2-oxiranyl)ethyl]malonate (CAS 21746-94-1) is a chemical compound with molecular formula C11H18O5 and molecular weight 230.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[2-(oxiran-2-yl)ethyl]propanedioate
Also Known As: Diethyl 2-[2-(2-oxiranyl)ethyl]malonate, (2-oxiranyl-ethyl)-malonic acid diethyl ester, Diethyl 2-[2-(2-oxiranyl)ethyl]malonate #, diethyl 2-[2-(oxiran-2-yl)ethyl]propanedioate, Propanedioic acid, 2-(2-oxiran-2-yl)ethyl-, diethyl ester
| Molecular Formula | C11H18O5 |
|---|---|
| Molecular Weight | 230.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 230.11542 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 21746-94-1 |
|---|---|
| SMILES | CCOC(=O)C(CCC1CO1)C(=O)OCC |
| InChIKey | DGINXVZUVSSFAT-UHFFFAOYSA-N |
Product Overview
Diethyl 2-[2-(2-oxiranyl)ethyl]malonate (CAS 21746-94-1), with molecular formula C11H18O5 and molecular weight 230.12 g/mol. IUPAC: diethyl 2-[2-(oxiran-2-yl)ethyl]propanedioate.
Chemical Property Profile of Diethyl 2-[2-(2-oxiranyl)ethyl]malonate
Property Insights of Diethyl 2-[2-(2-oxiranyl)ethyl]malonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-[2-(2-oxiranyl)ethyl]malonate. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-[2-(2-oxiranyl)ethyl]malonate. Following Lipinski's Rule of Five, Diethyl 2-[2-(2-oxiranyl)ethyl]malonate has 0 hydrogen bond donor(s) and 5 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-[2-(2-oxiranyl)ethyl]malonate?
The CAS number of Diethyl 2-[2-(2-oxiranyl)ethyl]malonate is 21746-94-1.
What is the molecular formula of Diethyl 2-[2-(2-oxiranyl)ethyl]malonate?
The molecular formula of Diethyl 2-[2-(2-oxiranyl)ethyl]malonate is C11H18O5.
What is the molecular weight of Diethyl 2-[2-(2-oxiranyl)ethyl]malonate?
The molecular weight of Diethyl 2-[2-(2-oxiranyl)ethyl]malonate is 230.12 g/mol.
Where can I buy Diethyl 2-[2-(2-oxiranyl)ethyl]malonate?
You can request a quote for Diethyl 2-[2-(2-oxiranyl)ethyl]malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-[2-(2-oxiranyl)ethyl]malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-[2-(2-oxiranyl)ethyl]malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.