2-methyl-1H-imidazole-4,5-dicarboxylic acid
TL;DR: 2-methyl-1H-imidazole-4,5-dicarboxylic acid (CAS 5313-35-9) is a chemical compound with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1H-imidazole-4,5-dicarboxylic acid
Also Known As: 2-Methyl-1H-imidazole-4,5-dicarboxylic acid, 2-methylimidazole-4,5-dicarboxylic acid, 4,5-dicarboxy-2-methylimidazole, imidazole, 4,5-dicarboxy-2-methyl-, 2-methyl-1H-imidazole-4,5-dicarboxylicacid
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 5313-35-9 |
|---|---|
| SMILES | CC1=NC(=C(N1)C(=O)O)C(=O)O |
| InChIKey | DCYCQZSHGUXYGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-methyl-1H-imidazole-4,5-dicarboxylic acid (CAS 5313-35-9), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: 2-methyl-1H-imidazole-4,5-dicarboxylic acid.
Chemical Property Profile of 2-methyl-1H-imidazole-4,5-dicarboxylic acid
Property Insights of 2-methyl-1H-imidazole-4,5-dicarboxylic acid
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-1H-imidazole-4,5-dicarboxylic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-1H-imidazole-4,5-dicarboxylic acid. Following Lipinski's Rule of Five, 2-methyl-1H-imidazole-4,5-dicarboxylic acid has 3 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 2-methyl-1H-imidazole-4,5-dicarboxylic acid?
The CAS number of 2-methyl-1H-imidazole-4,5-dicarboxylic acid is 5313-35-9.
What is the molecular formula of 2-methyl-1H-imidazole-4,5-dicarboxylic acid?
The molecular formula of 2-methyl-1H-imidazole-4,5-dicarboxylic acid is C6H6N2O4.
What is the molecular weight of 2-methyl-1H-imidazole-4,5-dicarboxylic acid?
The molecular weight of 2-methyl-1H-imidazole-4,5-dicarboxylic acid is 170.03 g/mol.
Where can I buy 2-methyl-1H-imidazole-4,5-dicarboxylic acid?
You can request a quote for 2-methyl-1H-imidazole-4,5-dicarboxylic 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-1H-imidazole-4,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-1H-imidazole-4,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.