Ethyl 4-fluoro-1H-imidazole-5-carboxylate
TL;DR: Ethyl 4-fluoro-1H-imidazole-5-carboxylate (CAS 33235-31-3) is a chemical compound with molecular formula C6H7FN2O2 and molecular weight 158.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-fluoro-1H-imidazole-4-carboxylate
Also Known As: ethyl 5-fluoro-1H-imidazole-4-carboxylate, Ethyl 4-fluoro-1H-imidazole-5-carboxylate, Ethyl 4-fluoroimidazole-5-carboxylate, 5-fluoro-1H-Imidazole-4-carboxylic acid ethyl ester, ethyl 5-fluoroimidazole-4-carboxylate
| Molecular Formula | C6H7FN2O2 |
|---|---|
| Molecular Weight | 158.05 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 158.04915 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 33235-31-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=N1)F |
| InChIKey | IHNTZQIMEWDJOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-fluoro-1H-imidazole-5-carboxylate (CAS 33235-31-3), with molecular formula C6H7FN2O2 and molecular weight 158.05 g/mol. IUPAC: ethyl 5-fluoro-1H-imidazole-4-carboxylate.
Chemical Property Profile of Ethyl 4-fluoro-1H-imidazole-5-carboxylate
Property Insights of Ethyl 4-fluoro-1H-imidazole-5-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-fluoro-1H-imidazole-5-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 4-fluoro-1H-imidazole-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-fluoro-1H-imidazole-5-carboxylate has 1 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 Ethyl 4-fluoro-1H-imidazole-5-carboxylate?
The CAS number of Ethyl 4-fluoro-1H-imidazole-5-carboxylate is 33235-31-3.
What is the molecular formula of Ethyl 4-fluoro-1H-imidazole-5-carboxylate?
The molecular formula of Ethyl 4-fluoro-1H-imidazole-5-carboxylate is C6H7FN2O2.
What is the molecular weight of Ethyl 4-fluoro-1H-imidazole-5-carboxylate?
The molecular weight of Ethyl 4-fluoro-1H-imidazole-5-carboxylate is 158.05 g/mol.
Where can I buy Ethyl 4-fluoro-1H-imidazole-5-carboxylate?
You can request a quote for Ethyl 4-fluoro-1H-imidazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-fluoro-1H-imidazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-fluoro-1H-imidazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.