Dimethyl malate
TL;DR: Dimethyl malate (CAS 1587-15-1) is a chemical compound with molecular formula C6H10O5 and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-hydroxybutanedioate
Also Known As: Dimethyl malate, dimethyl 2-hydroxysuccinate, Dimethyl dl-malate, Dimethylmalate, dimethyl 2-hydroxybutanedioate
| Molecular Formula | C6H10O5 |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.05283 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 1587-15-1 |
|---|---|
| SMILES | COC(=O)CC(C(=O)OC)O |
| InChIKey | YSEKNCXYRGKTBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl malate (CAS 1587-15-1), with molecular formula C6H10O5 and molecular weight 162.05 g/mol. IUPAC: dimethyl 2-hydroxybutanedioate.
Chemical Property Profile of Dimethyl malate
Property Insights of Dimethyl malate
The XLogP value of -0.7 indicates that Dimethyl malate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl malate. Following Lipinski's Rule of Five, Dimethyl 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 Dimethyl malate?
The CAS number of Dimethyl malate is 1587-15-1.
What is the molecular formula of Dimethyl malate?
The molecular formula of Dimethyl malate is C6H10O5.
What is the molecular weight of Dimethyl malate?
The molecular weight of Dimethyl malate is 162.05 g/mol.
Where can I buy Dimethyl malate?
You can request a quote for Dimethyl malate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl malate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl malate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.