2-tert-butyl-1H-imidazole-4-carboxylic acid
TL;DR: 2-tert-butyl-1H-imidazole-4-carboxylic acid (CAS 794495-32-2) is a chemical compound with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-1H-imidazole-5-carboxylic acid
Also Known As: 2-tert-butyl-1H-imidazole-4-carboxylic acid, 2-tert-butyl-1H-imidazole-5-carboxylic acid, 2-(tert-Butyl)-1H-imidazole-5-carboxylic acid, 1H-Imidazole-5-carboxylicacid, 2-(1,1-dimethylethyl)-, 1H-Imidazole-5-carboxylic acid, 2-(1,1-dimethylethyl)-
| Molecular Formula | C8H12N2O2 |
|---|---|
| Molecular Weight | 168.09 g/mol |
| LogP | 1.4054 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.08987 |
| Heavy Atoms | 12 |
| Complexity | 296.25165 |
Chemical Identifiers
| CAS Number | 794495-32-2 |
|---|---|
| SMILES | CC(C)(C)C1=NC=C(N1)C(=O)O |
Product Overview
2-tert-butyl-1H-imidazole-4-carboxylic acid (CAS 794495-32-2), with molecular formula C8H12N2O2 and molecular weight 168.09 g/mol. IUPAC: 2-tert-butyl-1H-imidazole-5-carboxylic acid.
Chemical Property Profile of 2-tert-butyl-1H-imidazole-4-carboxylic acid
Property Insights of 2-tert-butyl-1H-imidazole-4-carboxylic acid
The XLogP value of 1.4054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-butyl-1H-imidazole-4-carboxylic acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-butyl-1H-imidazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-tert-butyl-1H-imidazole-4-carboxylic acid has 2 hydrogen bond donor(s) and 2 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-tert-butyl-1H-imidazole-4-carboxylic acid?
The CAS number of 2-tert-butyl-1H-imidazole-4-carboxylic acid is 794495-32-2.
What is the molecular formula of 2-tert-butyl-1H-imidazole-4-carboxylic acid?
The molecular formula of 2-tert-butyl-1H-imidazole-4-carboxylic acid is C8H12N2O2.
What is the molecular weight of 2-tert-butyl-1H-imidazole-4-carboxylic acid?
The molecular weight of 2-tert-butyl-1H-imidazole-4-carboxylic acid is 168.09 g/mol.
Where can I buy 2-tert-butyl-1H-imidazole-4-carboxylic acid?
You can request a quote for 2-tert-butyl-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 2-tert-butyl-1H-imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-1H-imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.