2-Ethyl-1H-imidazole-4-carboxylic acid
TL;DR: 2-Ethyl-1H-imidazole-4-carboxylic acid (CAS 85681-45-4) is a chemical compound with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1H-imidazole-5-carboxylic acid
Also Known As: 2-Ethyl-1H-imidazole-4-carboxylic acid, 2-ethyl-1H-imidazole-5-carboxylic acid, EINECS 282-568-1, 2-Ethyl-4(1H)-imidazolecarboxylic acid, 6-nitropyridine-2-carboxylic acid
| Molecular Formula | C6H8N2O2 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 140.05858 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 85681-45-4 |
|---|---|
| SMILES | CCC1=NC=C(N1)C(=O)O |
| InChIKey | NRIUQHNTFFNDMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1H-imidazole-4-carboxylic acid (CAS 85681-45-4), with molecular formula C6H8N2O2 and molecular weight 140.06 g/mol. IUPAC: 2-ethyl-1H-imidazole-5-carboxylic acid.
Chemical Property Profile of 2-Ethyl-1H-imidazole-4-carboxylic acid
Property Insights of 2-Ethyl-1H-imidazole-4-carboxylic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-1H-imidazole-4-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-1H-imidazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2-Ethyl-1H-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 2-Ethyl-1H-imidazole-4-carboxylic acid?
The CAS number of 2-Ethyl-1H-imidazole-4-carboxylic acid is 85681-45-4.
What is the molecular formula of 2-Ethyl-1H-imidazole-4-carboxylic acid?
The molecular formula of 2-Ethyl-1H-imidazole-4-carboxylic acid is C6H8N2O2.
What is the molecular weight of 2-Ethyl-1H-imidazole-4-carboxylic acid?
The molecular weight of 2-Ethyl-1H-imidazole-4-carboxylic acid is 140.06 g/mol.
Where can I buy 2-Ethyl-1H-imidazole-4-carboxylic acid?
You can request a quote for 2-Ethyl-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-Ethyl-1H-imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1H-imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.