Diethyl Malonate
TL;DR: Diethyl Malonate (CAS 105-53-3) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl propanedioate
Also Known As: DIETHYL MALONATE, Diethyl propanedioate, Ethyl malonate, Malonic ester, Dicarbethoxymethane
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
| Melting Point | -50 °C |
| Boiling Point | 200 °C |
| Density | 1.0551 g/cu cm at 20 °C |
| Solubility | In water, 20 g/L at 20 °C |
| Flash Point | 93.3 °C (93 °C) (open cup) |
| Vapor Pressure | 0.26 [mmHg] |
| Refractive Index | 1.4139 at 20 °C |
Chemical Identifiers
| CAS Number | 105-53-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)OCC |
| InChIKey | IYXGSMUGOJNHAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl Malonate (CAS 105-53-3), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: diethyl propanedioate.
Chemical Property Profile of Diethyl Malonate
Property Insights of Diethyl Malonate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl Malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl Malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 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
Frequently Asked Questions
What is the CAS number of Diethyl Malonate?
The CAS number of Diethyl Malonate is 105-53-3.
What is the molecular formula of Diethyl Malonate?
The molecular formula of Diethyl Malonate is C7H12O4.
What is the molecular weight of Diethyl Malonate?
The molecular weight of Diethyl Malonate is 160.07 g/mol.
Where can I buy Diethyl Malonate?
You can request a quote for Diethyl Malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl Malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl Malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.