Imidazole-4-carboxylic acid
TL;DR: Imidazole-4-carboxylic acid (CAS 1072-84-0) is a chemical compound with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1H-imidazole-5-carboxylic acid
Also Known As: 1H-Imidazole-4-carboxylic acid, 1H-Imidazole-5-carboxylic acid, 4-Imidazolecarboxylic acid, IMIDAZOLE-4-CARBOXYLIC ACID, 4-Carboxyimidazole
| Molecular Formula | C4H4N2O2 |
|---|---|
| Molecular Weight | 112.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.027275 |
| Heavy Atoms | 8 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 1072-84-0 |
|---|---|
| SMILES | C1=C(NC=N1)C(=O)O |
| InChIKey | NKWCGTOZTHZDHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole-4-carboxylic acid (CAS 1072-84-0), with molecular formula C4H4N2O2 and molecular weight 112.03 g/mol. IUPAC: 1H-imidazole-5-carboxylic acid.
Chemical Property Profile of Imidazole-4-carboxylic acid
Property Insights of Imidazole-4-carboxylic acid
The XLogP value of -0.1 indicates that Imidazole-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole-4-carboxylic acid. Following Lipinski's Rule of Five, Imidazole-4-carboxylic 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 Imidazole-4-carboxylic acid?
The CAS number of Imidazole-4-carboxylic acid is 1072-84-0.
What is the molecular formula of Imidazole-4-carboxylic acid?
The molecular formula of Imidazole-4-carboxylic acid is C4H4N2O2.
What is the molecular weight of Imidazole-4-carboxylic acid?
The molecular weight of Imidazole-4-carboxylic acid is 112.03 g/mol.
Where can I buy Imidazole-4-carboxylic acid?
You can request a quote for 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 Imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.