2-Pentafluorophenylimidazole
TL;DR: 2-Pentafluorophenylimidazole (CAS 81654-41-3) is a chemical compound with molecular formula C9H3F5N2 and molecular weight 234.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3,4,5,6-pentafluorophenyl)-1H-imidazole
Also Known As: 2-Pentafluorophenylimidazole, 1h-imidazole, 2-(2,3,4,5,6-pentafluorophenyl), 2-(2,3,4,5,6-Pentafluorophenyl)-1H-imidazole, 2-(2,3,4,5,6-Pentafluorophenyl)-1H-imidazole #
| Molecular Formula | C9H3F5N2 |
|---|---|
| Molecular Weight | 234.02 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 234.02164 |
| Heavy Atoms | 16 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 81654-41-3 |
|---|---|
| SMILES | C1=CN=C(N1)C2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | WBMYEFPAOOMNQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pentafluorophenylimidazole (CAS 81654-41-3), with molecular formula C9H3F5N2 and molecular weight 234.02 g/mol. IUPAC: 2-(2,3,4,5,6-pentafluorophenyl)-1H-imidazole.
Chemical Property Profile of 2-Pentafluorophenylimidazole
Property Insights of 2-Pentafluorophenylimidazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Pentafluorophenylimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 2-Pentafluorophenylimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentafluorophenylimidazole has 1 hydrogen bond donor(s) and 6 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-Pentafluorophenylimidazole?
The CAS number of 2-Pentafluorophenylimidazole is 81654-41-3.
What is the molecular formula of 2-Pentafluorophenylimidazole?
The molecular formula of 2-Pentafluorophenylimidazole is C9H3F5N2.
What is the molecular weight of 2-Pentafluorophenylimidazole?
The molecular weight of 2-Pentafluorophenylimidazole is 234.02 g/mol.
Where can I buy 2-Pentafluorophenylimidazole?
You can request a quote for 2-Pentafluorophenylimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentafluorophenylimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentafluorophenylimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.