2-Methyl-3-oxobutanedioic acid
TL;DR: 2-Methyl-3-oxobutanedioic acid (CAS 642-93-3) is a chemical compound with molecular formula C5H6O5 and molecular weight 146.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-oxobutanedioic acid
Also Known As: 2-methyl-3-oxobutanedioic acid, 2-methyl-3-oxosuccinic acid, Methyloxaloacetic acid, 2-oxo-3-methylsuccinic acid, J2.364.466E
| Molecular Formula | C5H6O5 |
|---|---|
| Molecular Weight | 146.02 g/mol |
| LogP | -0.6392 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.02153 |
| Heavy Atoms | 10 |
| Complexity | 182.47733 |
Chemical Identifiers
| CAS Number | 642-93-3 |
|---|---|
| SMILES | CC(C(=O)C(=O)O)C(=O)O |
Product Overview
2-Methyl-3-oxobutanedioic acid (CAS 642-93-3), with molecular formula C5H6O5 and molecular weight 146.02 g/mol. IUPAC: 2-methyl-3-oxobutanedioic acid.
Chemical Property Profile of 2-Methyl-3-oxobutanedioic acid
Property Insights of 2-Methyl-3-oxobutanedioic acid
The XLogP value of -0.6392 indicates that 2-Methyl-3-oxobutanedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-oxobutanedioic acid. Following Lipinski's Rule of Five, 2-Methyl-3-oxobutanedioic acid has 2 hydrogen bond donor(s) and 3 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-Methyl-3-oxobutanedioic acid?
The CAS number of 2-Methyl-3-oxobutanedioic acid is 642-93-3.
What is the molecular formula of 2-Methyl-3-oxobutanedioic acid?
The molecular formula of 2-Methyl-3-oxobutanedioic acid is C5H6O5.
What is the molecular weight of 2-Methyl-3-oxobutanedioic acid?
The molecular weight of 2-Methyl-3-oxobutanedioic acid is 146.02 g/mol.
Where can I buy 2-Methyl-3-oxobutanedioic acid?
You can request a quote for 2-Methyl-3-oxobutanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-oxobutanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-oxobutanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.