Diethyl ethylmalonate
TL;DR: Diethyl ethylmalonate (CAS 133-13-1) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-ethylpropanedioate
Also Known As: DIETHYL ETHYLMALONATE, Diethyl 2-ethylmalonate, 1,3-diethyl 2-ethylpropanedioate, Butanixin, diethyl 2-ethylpropanedioate
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.10486 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 158.0 |
| SMILES | CCC(C(=O)OCC)C(=O)OCC |
| InChIKey | VQAZCUCWHIIFGE-UHFFFAOYSA-N |
Product Description
Applications: Diethyl ethylmalonate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl ethylmalonate (CAS 133-13-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Diethyl ethylmalonate (CAS 133-13-1) is a polymer intermediate with the molecular formula C9H16O4 and a molecular weight of 188.1 g/mol. It is also known as DIETHYL ETHYLMALONATE and Diethyl 2-ethylmalonate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Diethyl ethylmalonate
Property Insights of Diethyl ethylmalonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl ethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethylmalonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl ethylmalonate?
The CAS number of Diethyl ethylmalonate is 133-13-1.
What is the molecular formula of Diethyl ethylmalonate?
The molecular formula of Diethyl ethylmalonate is C9H16O4.
What is the molecular weight of Diethyl ethylmalonate?
The molecular weight of Diethyl ethylmalonate is 188.10486 g/mol.
What are the applications of Diethyl ethylmalonate?
Diethyl ethylmalonate is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Diethyl ethylmalonate (CAS...
Where can I buy Diethyl ethylmalonate?
You can request a quote for Diethyl ethylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl ethylmalonate?
Yes, CoreyChem provides custom synthesis services for Diethyl ethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.