4,5,7-trifluoro-3H-benzoimidazole
TL;DR: 4,5,7-trifluoro-3H-benzoimidazole (CAS 2686-72-8) is a chemical compound with molecular formula C7H3F3N2 and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,7-trifluoro-1H-benzimidazole
Also Known As: 4,5,7-trifluoro-3H-benzoimidazole, 4,6,7-trifluoro-1h-benzimidazole, Benzimidazole, 4,5,7-trifluoro-, 4,6,7-Trifluoro-1H-1,3-benzimidazole, 1H-Benzimidazole, 4,5,7-trifluoro- (9CI)
| Molecular Formula | C7H3F3N2 |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.02483 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2686-72-8 |
|---|---|
| SMILES | C1=C(C2=C(C(=C1F)F)NC=N2)F |
| InChIKey | LKGYJXCGRGDDIA-UHFFFAOYSA-N |
Product Overview
4,5,7-trifluoro-3H-benzoimidazole (CAS 2686-72-8), with molecular formula C7H3F3N2 and molecular weight 172.02 g/mol. IUPAC: 4,6,7-trifluoro-1H-benzimidazole.
Chemical Property Profile of 4,5,7-trifluoro-3H-benzoimidazole
Property Insights of 4,5,7-trifluoro-3H-benzoimidazole
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5,7-trifluoro-3H-benzoimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4,5,7-trifluoro-3H-benzoimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5,7-trifluoro-3H-benzoimidazole 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 4,5,7-trifluoro-3H-benzoimidazole?
The CAS number of 4,5,7-trifluoro-3H-benzoimidazole is 2686-72-8.
What is the molecular formula of 4,5,7-trifluoro-3H-benzoimidazole?
The molecular formula of 4,5,7-trifluoro-3H-benzoimidazole is C7H3F3N2.
What is the molecular weight of 4,5,7-trifluoro-3H-benzoimidazole?
The molecular weight of 4,5,7-trifluoro-3H-benzoimidazole is 172.02 g/mol.
Where can I buy 4,5,7-trifluoro-3H-benzoimidazole?
You can request a quote for 4,5,7-trifluoro-3H-benzoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5,7-trifluoro-3H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5,7-trifluoro-3H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.