2-phenyl-1H-imidazole-4,5-dicarboxylic acid
TL;DR: 2-phenyl-1H-imidazole-4,5-dicarboxylic acid (CAS 3137-17-5) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1H-imidazole-4,5-dicarboxylic acid
Also Known As: 2-phenyl-1H-imidazole-4,5-dicarboxylic acid, 1H-Imidazole-4, 2-phenyl-, 2-phenylimidazole-4,5-dicarboxylic acid, imidazole, 4,5-dicarboxy-2-phenyl-, 1H-Imidazole-4,5-dicarboxylic acid, 2-phenyl-
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 3137-17-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=C(N2)C(=O)O)C(=O)O |
| InChIKey | GTYWKHXMYZVFSU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-phenyl-1H-imidazole-4,5-dicarboxylic acid (CAS 3137-17-5), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: 2-phenyl-1H-imidazole-4,5-dicarboxylic acid.
Chemical Property Profile of 2-phenyl-1H-imidazole-4,5-dicarboxylic acid
Property Insights of 2-phenyl-1H-imidazole-4,5-dicarboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-phenyl-1H-imidazole-4,5-dicarboxylic acid. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-phenyl-1H-imidazole-4,5-dicarboxylic acid. Following Lipinski's Rule of Five, 2-phenyl-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-phenyl-1H-imidazole-4,5-dicarboxylic acid?
The CAS number of 2-phenyl-1H-imidazole-4,5-dicarboxylic acid is 3137-17-5.
What is the molecular formula of 2-phenyl-1H-imidazole-4,5-dicarboxylic acid?
The molecular formula of 2-phenyl-1H-imidazole-4,5-dicarboxylic acid is C11H8N2O4.
What is the molecular weight of 2-phenyl-1H-imidazole-4,5-dicarboxylic acid?
The molecular weight of 2-phenyl-1H-imidazole-4,5-dicarboxylic acid is 232.05 g/mol.
Where can I buy 2-phenyl-1H-imidazole-4,5-dicarboxylic acid?
You can request a quote for 2-phenyl-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-phenyl-1H-imidazole-4,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-phenyl-1H-imidazole-4,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.