2-Hydroxy-2-methyl-4-oxopentanedioic acid
TL;DR: 2-Hydroxy-2-methyl-4-oxopentanedioic acid (CAS 19071-44-4) is a chemical compound with molecular formula C6H8O6 and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-methyl-4-oxopentanedioic acid
Also Known As: Parapyruvate, parapyruvic acid, 2-hydroxy-2-methyl-4-oxopentanedioic acid, 4-hydroxy-4-methyl-2-oxoglutaric acid, 4-Hydroxy-4-methyl-2-oxoglutarate
| Molecular Formula | C6H8O6 |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.03209 |
| Heavy Atoms | 12 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 19071-44-4 |
|---|---|
| SMILES | CC(CC(=O)C(=O)O)(C(=O)O)O |
| InChIKey | YRWAMSXHYBBHFL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-2-methyl-4-oxopentanedioic acid (CAS 19071-44-4), with molecular formula C6H8O6 and molecular weight 176.03 g/mol. IUPAC: 2-hydroxy-2-methyl-4-oxopentanedioic acid.
Chemical Property Profile of 2-Hydroxy-2-methyl-4-oxopentanedioic acid
Property Insights of 2-Hydroxy-2-methyl-4-oxopentanedioic acid
The XLogP value of -1.3 indicates that 2-Hydroxy-2-methyl-4-oxopentanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-2-methyl-4-oxopentanedioic acid. Following Lipinski's Rule of Five, 2-Hydroxy-2-methyl-4-oxopentanedioic acid has 3 hydrogen bond donor(s) and 6 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 2-Hydroxy-2-methyl-4-oxopentanedioic acid?
The CAS number of 2-Hydroxy-2-methyl-4-oxopentanedioic acid is 19071-44-4.
What is the molecular formula of 2-Hydroxy-2-methyl-4-oxopentanedioic acid?
The molecular formula of 2-Hydroxy-2-methyl-4-oxopentanedioic acid is C6H8O6.
What is the molecular weight of 2-Hydroxy-2-methyl-4-oxopentanedioic acid?
The molecular weight of 2-Hydroxy-2-methyl-4-oxopentanedioic acid is 176.03 g/mol.
Where can I buy 2-Hydroxy-2-methyl-4-oxopentanedioic acid?
You can request a quote for 2-Hydroxy-2-methyl-4-oxopentanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-2-methyl-4-oxopentanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-2-methyl-4-oxopentanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.