Diethyl methylpropylmalonate
TL;DR: Diethyl methylpropylmalonate (CAS 55898-43-6) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-methyl-2-propylpropanedioate
Also Known As: Diethyl 2-methyl-2-propylmalonate, DIETHYL METHYLPROPYLMALONATE, Diethyl methyl propyl malonate, Valproate Impurity 38, Valproic Acid Impurity 8
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.13615 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 216.13615 Da |
| Heavy Atoms | 15 |
| Complexity | 205.0 |
| SMILES | CCCC(C)(C(=O)OCC)C(=O)OCC |
| InChIKey | DTHLCPJSRSNVLX-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl methylpropylmalonate
Property Insights of Diethyl methylpropylmalonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl methylpropylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl methylpropylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl methylpropylmalonate 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 methylpropylmalonate?
The CAS number of Diethyl methylpropylmalonate is 55898-43-6.
What is the molecular formula of Diethyl methylpropylmalonate?
The molecular formula of Diethyl methylpropylmalonate is C11H20O4.
What is the molecular weight of Diethyl methylpropylmalonate?
The molecular weight of Diethyl methylpropylmalonate is 216.13615 g/mol.
Where can I buy Diethyl methylpropylmalonate?
You can request a quote for Diethyl methylpropylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl methylpropylmalonate?
Yes, CoreyChem provides custom synthesis services for Diethyl methylpropylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.