4-fluoro-1H-imidazole-5-carboxylic acid
TL;DR: 4-fluoro-1H-imidazole-5-carboxylic acid (CAS 42309-90-0) is a chemical compound with molecular formula C4H3FN2O2 and molecular weight 130.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-1H-imidazole-4-carboxylic acid
Also Known As: Etomidate Impurity 77, 4-Fluoro-1H-imidazole-5-carboxylic acid, 5-Fluoro-4-imidazolic acid, 4-Fluoroimidazole-5-carboxylic acid, 5-Fluoroimidazole-4-carboxylic acid
| Molecular Formula | C4H3FN2O2 |
|---|---|
| Molecular Weight | 130.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.01785 |
| Heavy Atoms | 9 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 42309-90-0 |
|---|---|
| SMILES | C1=NC(=C(N1)F)C(=O)O |
| InChIKey | BKPMWUILLTUJIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-fluoro-1H-imidazole-5-carboxylic acid (CAS 42309-90-0), with molecular formula C4H3FN2O2 and molecular weight 130.02 g/mol. IUPAC: 5-fluoro-1H-imidazole-4-carboxylic acid.
Chemical Property Profile of 4-fluoro-1H-imidazole-5-carboxylic acid
Property Insights of 4-fluoro-1H-imidazole-5-carboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-fluoro-1H-imidazole-5-carboxylic acid. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-fluoro-1H-imidazole-5-carboxylic acid. Following Lipinski's Rule of Five, 4-fluoro-1H-imidazole-5-carboxylic acid has 2 hydrogen bond donor(s) and 4 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 4-fluoro-1H-imidazole-5-carboxylic acid?
The CAS number of 4-fluoro-1H-imidazole-5-carboxylic acid is 42309-90-0.
What is the molecular formula of 4-fluoro-1H-imidazole-5-carboxylic acid?
The molecular formula of 4-fluoro-1H-imidazole-5-carboxylic acid is C4H3FN2O2.
What is the molecular weight of 4-fluoro-1H-imidazole-5-carboxylic acid?
The molecular weight of 4-fluoro-1H-imidazole-5-carboxylic acid is 130.02 g/mol.
Where can I buy 4-fluoro-1H-imidazole-5-carboxylic acid?
You can request a quote for 4-fluoro-1H-imidazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-fluoro-1H-imidazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-fluoro-1H-imidazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.