6-Nitro-2-(trifluoromethyl)-1H-benzimidazole
TL;DR: 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole (CAS 327-19-5) is a chemical compound with molecular formula C8H4F3N3O2 and molecular weight 231.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 5-nitro-2-(trifluoromethyl)-1H-benzimidazole, 5-Nitro-2-trifluoromethylbenzimidazole, 6-nitro-2-(trifluoromethyl)-1h-benzimidazole, 5-nitro-2-trifluoromethyl-1h-benzoimidazole, 2-CF3-5-NO2 benzimadazole
| Molecular Formula | C8H4F3N3O2 |
|---|---|
| Molecular Weight | 231.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 231.02556 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 327-19-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(F)(F)F |
| InChIKey | FEJRBJIEEALTTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Nitro-2-(trifluoromethyl)-1H-benzimidazole (CAS 327-19-5), with molecular formula C8H4F3N3O2 and molecular weight 231.03 g/mol. IUPAC: 6-nitro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole
Property Insights of 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole 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 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole?
The CAS number of 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole is 327-19-5.
What is the molecular formula of 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular formula of 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole is C8H4F3N3O2.
What is the molecular weight of 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular weight of 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole is 231.03 g/mol.
Where can I buy 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole?
You can request a quote for 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2-(trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.