1-methyl-1H-imidazole-4-carboxylic acid
TL;DR: 1-methyl-1H-imidazole-4-carboxylic acid (CAS 41716-18-1) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylimidazole-4-carboxylic acid
Also Known As: 1-Methyl-1H-imidazole-4-carboxylic acid, 1-methylimidazole-4-carboxylic acid, null, 1-methyl-imidazole-4-carboxylic acid, 1-Methyl-4-imidazolecarboxylic Acid
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 41716-18-1 |
|---|---|
| SMILES | CN1C=C(N=C1)C(=O)O |
| InChIKey | WZTRQGJMMHMFGH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-methyl-1H-imidazole-4-carboxylic acid (CAS 41716-18-1), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 1-methylimidazole-4-carboxylic acid.
Chemical Property Profile of 1-methyl-1H-imidazole-4-carboxylic acid
Property Insights of 1-methyl-1H-imidazole-4-carboxylic acid
The XLogP value of -0.1 indicates that 1-methyl-1H-imidazole-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.1 Ų, 1-methyl-1H-imidazole-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-1H-imidazole-4-carboxylic acid has 1 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 1-methyl-1H-imidazole-4-carboxylic acid?
The CAS number of 1-methyl-1H-imidazole-4-carboxylic acid is 41716-18-1.
What is the molecular formula of 1-methyl-1H-imidazole-4-carboxylic acid?
The molecular formula of 1-methyl-1H-imidazole-4-carboxylic acid is C5H6N2O2.
What is the molecular weight of 1-methyl-1H-imidazole-4-carboxylic acid?
The molecular weight of 1-methyl-1H-imidazole-4-carboxylic acid is 126.04 g/mol.
Where can I buy 1-methyl-1H-imidazole-4-carboxylic acid?
You can request a quote for 1-methyl-1H-imidazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-1H-imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-1H-imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.