ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate
TL;DR: ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate (CAS 959041-07-7) is a chemical compound with molecular formula C6H6BrFN2O2 and molecular weight 235.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate
Also Known As: ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate, Ethyl 2-bromo-4-fluoro-1H-imidazole-5-carboxylate, 5-Imidazolic acid, 2-bromo-4-fluoro-, ethyl ester, Ethyl 2-bromo-4-fluoro-1H-imidazole-5-carboxylate #
| Molecular Formula | C6H6BrFN2O2 |
|---|---|
| Molecular Weight | 235.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.95967 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 959041-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=N1)Br)F |
| InChIKey | GVOLWCIPSQYZEN-UHFFFAOYSA-N |
Product Overview
ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate (CAS 959041-07-7), with molecular formula C6H6BrFN2O2 and molecular weight 235.96 g/mol. IUPAC: ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate.
Chemical Property Profile of ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate
Property Insights of ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-bromo-5-fluoro-1H-imidazole-4-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 2-bromo-5-fluoro-1H-imidazole-4-carboxylate?
The CAS number of ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate is 959041-07-7.
What is the molecular formula of ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate?
The molecular formula of ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate is C6H6BrFN2O2.
What is the molecular weight of ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate?
The molecular weight of ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate is 235.96 g/mol.
Where can I buy ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate?
You can request a quote for ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-bromo-5-fluoro-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.