Diethyl dimethylmalonate
TL;DR: Diethyl dimethylmalonate (CAS 1619-62-1) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,2-dimethylpropanedioate
Also Known As: DIETHYL DIMETHYLMALONATE, Diethyl 2,2-dimethylmalonate, Diethyldimethylmalonate, diethyl 2,2-dimethylpropanedioate, zlchem 328
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 1619-62-1 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)C(=O)OCC |
| InChIKey | UELKSYXXNGHTSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl dimethylmalonate (CAS 1619-62-1), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: diethyl 2,2-dimethylpropanedioate.
Chemical Property Profile of Diethyl dimethylmalonate
Property Insights of Diethyl dimethylmalonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl dimethylmalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl dimethylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl dimethylmalonate 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
Frequently Asked Questions
What is the CAS number of Diethyl dimethylmalonate?
The CAS number of Diethyl dimethylmalonate is 1619-62-1.
What is the molecular formula of Diethyl dimethylmalonate?
The molecular formula of Diethyl dimethylmalonate is C9H16O4.
What is the molecular weight of Diethyl dimethylmalonate?
The molecular weight of Diethyl dimethylmalonate is 188.10 g/mol.
Where can I buy Diethyl dimethylmalonate?
You can request a quote for Diethyl dimethylmalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl dimethylmalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl dimethylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.