Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-
TL;DR: Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)- (CAS 89427-10-1) is a chemical compound with molecular formula C9H6F3N3O2 and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 5-Methyl-4-nitro-2-(trifluoromethyl)benzimidazole, Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-, 5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole, 5-Methyl-4-nitro-2-(trifluoromethyl)-1H-1,3-benzimidazole, RefChem:325955
| Molecular Formula | C9H6F3N3O2 |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.04121 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 89427-10-1 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)NC(=N2)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | FXEJGTRANQTCMH-UHFFFAOYSA-N |
Product Overview
Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)- (CAS 89427-10-1), with molecular formula C9H6F3N3O2 and molecular weight 245.04 g/mol. IUPAC: 5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-
Property Insights of Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)- 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 Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-?
The CAS number of Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)- is 89427-10-1.
What is the molecular formula of Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-?
The molecular formula of Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)- is C9H6F3N3O2.
What is the molecular weight of Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-?
The molecular weight of Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)- is 245.04 g/mol.
Where can I buy Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)-?
You can request a quote for Benzimidazole, 5-methyl-4-nitro-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, 5-methyl-4-nitro-2-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzimidazole, 5-methyl-4-nitro-2-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.