Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate
TL;DR: Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate (CAS 89676-59-5) is a chemical compound with molecular formula C6H6F2N2O2 and molecular weight 176.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,5-difluoro-1H-imidazole-4-carboxylate
Also Known As: Ethyl 2,4-difluoro-1H-imidazole-5-carboxylate, ethyl 2,5-difluoro-1H-imidazole-4-carboxylate, BOC-L-PHE(4-NH-SO2-CH3), ethyl 2,4-difluoroimidazole-5-carboxylate, ETHYL 2,4-DIFLUOROIMIDAZOLE 5-CARBOXYLATE
| Molecular Formula | C6H6F2N2O2 |
|---|---|
| Molecular Weight | 176.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.03973 |
| Heavy Atoms | 12 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 89676-59-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=N1)F)F |
| InChIKey | IQAZHMZPSUKCMX-UHFFFAOYSA-N |
Product Overview
Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate (CAS 89676-59-5), with molecular formula C6H6F2N2O2 and molecular weight 176.04 g/mol. IUPAC: ethyl 2,5-difluoro-1H-imidazole-4-carboxylate.
Chemical Property Profile of Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate
Property Insights of Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate. With a topological polar surface area (TPSA) of 55.0 Ų, Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate has 1 hydrogen bond donor(s) and 5 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 2,5-difluoro-1H-imidazole-4-carboxylate?
The CAS number of Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate is 89676-59-5.
What is the molecular formula of Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate?
The molecular formula of Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate is C6H6F2N2O2.
What is the molecular weight of Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate?
The molecular weight of Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate is 176.04 g/mol.
Where can I buy Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate?
You can request a quote for Ethyl 2,5-difluoro-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 2,5-difluoro-1H-imidazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,5-difluoro-1H-imidazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.