2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid
TL;DR: 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid (CAS 773099-18-6) is a chemical compound with molecular formula C6H5BrN2O4 and molecular weight 247.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-methylimidazole-4,5-dicarboxylic acid
Also Known As: 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid, 2-bromo-1-methylimidazole-4,5-dicarboxylic acid, RARECHEM AL BO 1865, 1H-Imidazole-4,5-dicarboxylicacid, 2-bromo-1-methyl-, 2-bromo-N-(4-fluorophenyl)acetamide
| Molecular Formula | C6H5BrN2O4 |
|---|---|
| Molecular Weight | 247.94 g/mol |
| LogP | 0.579 |
| Topological Polar Surface Area | 92.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.94327 |
| Heavy Atoms | 13 |
| Complexity | 384.23114 |
Chemical Identifiers
| CAS Number | 773099-18-6 |
|---|---|
| SMILES | CN1C(=C(N=C1Br)C(=O)O)C(=O)O |
Product Overview
2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid (CAS 773099-18-6), with molecular formula C6H5BrN2O4 and molecular weight 247.94 g/mol. IUPAC: 2-bromo-1-methylimidazole-4,5-dicarboxylic acid.
Chemical Property Profile of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid
Property Insights of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid
The XLogP value of 0.579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid. The TPSA of 92.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid. Following Lipinski's Rule of Five, 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic 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 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid?
The CAS number of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid is 773099-18-6.
What is the molecular formula of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid?
The molecular formula of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid is C6H5BrN2O4.
What is the molecular weight of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid?
The molecular weight of 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid is 247.94 g/mol.
Where can I buy 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid?
You can request a quote for 2-Bromo-1-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-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-1-methyl-1H-imidazole-4,5-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.