Diethyl malate
TL;DR: Diethyl malate (CAS 7554-12-3) is a chemical compound with molecular formula C8H14O5 and molecular weight 190.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-hydroxybutanedioate
Also Known As: DIETHYL MALATE, Diethyl 2-hydroxysuccinate, Diethyl dl-malate, Diethyl L-malate, Ethyl malate
| Molecular Formula | C8H14O5 |
|---|---|
| Molecular Weight | 190.08 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 190.08412 |
| Heavy Atoms | 13 |
| Complexity | 177.0 |
| Density | 1.120-1.128 |
| Solubility | soluble in water; miscible in alcohol and oil |
| Refractive Index | 1.436-1.446 |
Chemical Identifiers
| CAS Number | 7554-12-3 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)O |
| InChIKey | VKNUORWMCINMRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl malate (CAS 7554-12-3), with molecular formula C8H14O5 and molecular weight 190.08 g/mol. IUPAC: diethyl 2-hydroxybutanedioate.
Chemical Property Profile of Diethyl malate
Property Insights of Diethyl malate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl malate. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl malate. Following Lipinski's Rule of Five, Diethyl malate has 1 hydrogen bond donor(s) and 5 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 malate?
The CAS number of Diethyl malate is 7554-12-3.
What is the molecular formula of Diethyl malate?
The molecular formula of Diethyl malate is C8H14O5.
What is the molecular weight of Diethyl malate?
The molecular weight of Diethyl malate is 190.08 g/mol.
Where can I buy Diethyl malate?
You can request a quote for Diethyl malate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl malate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl malate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.