5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
TL;DR: 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole (CAS 89427-24-7) is a chemical compound with molecular formula C9H5BrF3N3O2 and molecular weight 322.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: 6-Bromo-5-methyl-4-nitro-2-(trifluoromethyl)benzimidazole, 6-bromo-5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole, BENZIMIDAZOLE, 6-BROMO-5-METHYL-4-NITRO-2-(TRIFLUOROMETHYL)-, 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole, RefChem:1072738
| Molecular Formula | C9H5BrF3N3O2 |
|---|---|
| Molecular Weight | 322.95 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.95172 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 89427-24-7 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1[N+](=O)[O-])N=C(N2)C(F)(F)F)Br |
| InChIKey | YUYRQXBFESASPO-UHFFFAOYSA-N |
Product Overview
5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole (CAS 89427-24-7), with molecular formula C9H5BrF3N3O2 and molecular weight 322.95 g/mol. IUPAC: 6-bromo-5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
Property Insights of 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
The XLogP value of 3.3 indicates that 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 5-Bromo-6-methyl-7-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 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole?
The CAS number of 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole is 89427-24-7.
What is the molecular formula of 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular formula of 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole is C9H5BrF3N3O2.
What is the molecular weight of 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular weight of 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole is 322.95 g/mol.
Where can I buy 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole?
You can request a quote for 5-Bromo-6-methyl-7-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 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.