Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)
TL;DR: Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) (CAS 89427-15-6) is a chemical compound with molecular formula C8H2F6N2 and molecular weight 240.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,7-trifluoro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 4,5,7-Trifluoro-2-(trifluoromethyl)benzimidazole, Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl), 4,6,7-trifluoro-2-(trifluoromethyl)-1H-benzimidazole, 4,6,7-Trifluoro-2-(trifluoromethyl)-1H-1,3-benzimidazole, RefChem:325886
| Molecular Formula | C8H2F6N2 |
|---|---|
| Molecular Weight | 240.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 240.01222 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 89427-15-6 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1F)F)NC(=N2)C(F)(F)F)F |
| InChIKey | ZPYUMXGVUPRXGQ-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) (CAS 89427-15-6), with molecular formula C8H2F6N2 and molecular weight 240.01 g/mol. IUPAC: 4,6,7-trifluoro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)
Property Insights of Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl). With a topological polar surface area (TPSA) of 28.7 Ų, Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) has 1 hydrogen bond donor(s) and 7 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 Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)?
The CAS number of Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) is 89427-15-6.
What is the molecular formula of Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)?
The molecular formula of Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) is C8H2F6N2.
What is the molecular weight of Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)?
The molecular weight of Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) is 240.01 g/mol.
Where can I buy Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)?
You can request a quote for Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl)?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 4,5,7-trifluoro-2-(trifluoromethyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.