Dimethyl malonate
TL;DR: Dimethyl malonate (CAS 108-59-8) is a chemical compound with molecular formula C5H8O4 and molecular weight 132.04225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl propanedioate
Also Known As: Dimethyl malonate, Methyl malonate, Dimethyl propanedioate, Dimethylmalonate, Malonic Acid Dimethyl Ester
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O4 |
| Molecular Weight | 132.04225 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 132.04225 Da |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
| Vapor Pressure | 14.7 [mmHg] |
| SMILES | COC(=O)CC(=O)OC |
| InChIKey | BEPAFCGSDWSTEL-UHFFFAOYSA-N |
Product Description
Applications: Dimethyl malonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Dimethyl malonate is a heterocyclic building block identified by CAS number 108-59-8 and the molecular formula C5H8O4 and a molecular weight of 132.04 g/mol. Synonyms include Dimethyl malonate and Methyl malonate.
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 Dimethyl malonate
Property Insights of Dimethyl malonate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl malonate 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 Dimethyl malonate?
The CAS number of Dimethyl malonate is 108-59-8.
What is the molecular formula of Dimethyl malonate?
The molecular formula of Dimethyl malonate is C5H8O4.
What is the molecular weight of Dimethyl malonate?
The molecular weight of Dimethyl malonate is 132.04225 g/mol.
What are the applications of Dimethyl malonate?
Dimethyl malonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Dimethyl malonate?
You can request a quote for Dimethyl malonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl malonate?
Yes, CoreyChem provides custom synthesis services for Dimethyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.