5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole
TL;DR: 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole (CAS 2338-24-1) is a chemical compound with molecular formula C8H3F3N4O4 and molecular weight 276.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole
Also Known As: BENZIMIDAZOLE, 5,6-DINITRO-2-(TRIFLUOROMETHYL)-, 5,6-Dinitro-2-(trifluoromethyl)benzimidazole, 5,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole, 5-23-06-00374 (Beilstein Handbook Reference), 2-(Trifluoromethyl)-5,6-dinitro-1H-benzimidazole
| Molecular Formula | C8H3F3N4O4 |
|---|---|
| Molecular Weight | 276.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.01065 |
| Heavy Atoms | 19 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 2338-24-1 |
|---|---|
| SMILES | C1=C2C(=CC(=C1[N+](=O)[O-])[N+](=O)[O-])N=C(N2)C(F)(F)F |
| InChIKey | OOJCWFWANPATNU-UHFFFAOYSA-N |
Product Overview
5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole (CAS 2338-24-1), with molecular formula C8H3F3N4O4 and molecular weight 276.01 g/mol. IUPAC: 5,6-dinitro-2-(trifluoromethyl)-1H-benzimidazole.
Chemical Property Profile of 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole
Property Insights of 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole. Following Lipinski's Rule of Five, 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole has 1 hydrogen bond donor(s) and 8 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 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole?
The CAS number of 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole is 2338-24-1.
What is the molecular formula of 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular formula of 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole is C8H3F3N4O4.
What is the molecular weight of 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole?
The molecular weight of 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole is 276.01 g/mol.
Where can I buy 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole?
You can request a quote for 5,6-Dinitro-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 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dinitro-2-(trifluoromethyl)-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.