Dimethylmalonic acid
TL;DR: Dimethylmalonic acid (CAS 595-46-0) is a chemical compound with molecular formula C5H8O4 and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylpropanedioic acid
Also Known As: DIMETHYLMALONIC ACID, 2,2-Dimethylmalonic acid, dimethylpropanedioic acid, Propanedioic acid, dimethyl-, 2,2-dimethylpropanedioic acid
| Molecular Formula | C5H8O4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.04225 |
| Heavy Atoms | 9 |
| Complexity | 131.0 |
| Melting Point | 192 °C |
| Solubility | 90 mg/mL at 13 °C |
| Vapor Pressure | 0.0014 [mmHg] |
Chemical Identifiers
| CAS Number | 595-46-0 |
|---|---|
| SMILES | CC(C)(C(=O)O)C(=O)O |
| InChIKey | OREAFAJWWJHCOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylmalonic acid (CAS 595-46-0), with molecular formula C5H8O4 and molecular weight 132.04 g/mol. IUPAC: 2,2-dimethylpropanedioic acid.
Chemical Property Profile of Dimethylmalonic acid
Property Insights of Dimethylmalonic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylmalonic acid. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethylmalonic acid. Following Lipinski's Rule of Five, Dimethylmalonic acid has 2 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 Dimethylmalonic acid?
The CAS number of Dimethylmalonic acid is 595-46-0.
What is the molecular formula of Dimethylmalonic acid?
The molecular formula of Dimethylmalonic acid is C5H8O4.
What is the molecular weight of Dimethylmalonic acid?
The molecular weight of Dimethylmalonic acid is 132.04 g/mol.
Where can I buy Dimethylmalonic acid?
You can request a quote for Dimethylmalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylmalonic acid?
Yes, KEHONG BIO provides custom synthesis services for Dimethylmalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.