5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid
TL;DR: 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid (CAS 75854-69-2) 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.
5-(carboxymethyl)-1H-imidazole-4-carboxylic acid
Also Known As: 5-(carboxymethyl)-1h-imidazole-4-carboxylic acid, NCIStruc1_000216, NCIStruc2_000004, 2-octyl-1,2-benzisothiazol-3-one, 4-(carboxymethyl)-1H-imidazole-5-carboxylic acid
| Molecular Formula | C6H6N2O4 |
|---|---|
| Molecular Weight | 170.03 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.03276 |
| Heavy Atoms | 12 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 75854-69-2 |
|---|---|
| SMILES | C1=NC(=C(N1)CC(=O)O)C(=O)O |
| InChIKey | YYCWYISTCZGNPF-UHFFFAOYSA-N |
Product Overview
5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid (CAS 75854-69-2), with molecular formula C6H6N2O4 and molecular weight 170.03 g/mol. IUPAC: 5-(carboxymethyl)-1H-imidazole-4-carboxylic acid.
Chemical Property Profile of 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid
Property Insights of 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid
The XLogP value of -0.6 indicates that 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid. Following Lipinski's Rule of Five, 5-(Carboxymethyl)-1h-imidazole-4-carboxylic 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 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid?
The CAS number of 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid is 75854-69-2.
What is the molecular formula of 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid?
The molecular formula of 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid is C6H6N2O4.
What is the molecular weight of 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid?
The molecular weight of 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid is 170.03 g/mol.
Where can I buy 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid?
You can request a quote for 5-(Carboxymethyl)-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 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.