Imidazole, 2-trifluoromethyl-5-nitro-
TL;DR: Imidazole, 2-trifluoromethyl-5-nitro- (CAS 104752-67-2) is a chemical compound with molecular formula C4H2F3N3O2 and molecular weight 181.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(trifluoromethyl)-1H-imidazole
Also Known As: Imidazole, 2-trifluoromethyl-5-nitro-, 1H-Imidazole, 5-nitro-2-(trifluoromethyl)-, 2-(Trifluoromethyl)-4-nitro-1H-imidazole, 4-nitro-2-(trifluoromethyl)-1H-imidazole, 5-Nitro-2-(trifluoromethyl)-1H-imidazole
| Molecular Formula | C4H2F3N3O2 |
|---|---|
| Molecular Weight | 181.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.00992 |
| Heavy Atoms | 12 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 104752-67-2 |
|---|---|
| SMILES | C1=C(NC(=N1)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | VBXNQIJUKVDWNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Imidazole, 2-trifluoromethyl-5-nitro- (CAS 104752-67-2), with molecular formula C4H2F3N3O2 and molecular weight 181.01 g/mol. IUPAC: 5-nitro-2-(trifluoromethyl)-1H-imidazole.
Chemical Property Profile of Imidazole, 2-trifluoromethyl-5-nitro-
Property Insights of Imidazole, 2-trifluoromethyl-5-nitro-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Imidazole, 2-trifluoromethyl-5-nitro-. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Imidazole, 2-trifluoromethyl-5-nitro-. Following Lipinski's Rule of Five, Imidazole, 2-trifluoromethyl-5-nitro- 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 Imidazole, 2-trifluoromethyl-5-nitro-?
The CAS number of Imidazole, 2-trifluoromethyl-5-nitro- is 104752-67-2.
What is the molecular formula of Imidazole, 2-trifluoromethyl-5-nitro-?
The molecular formula of Imidazole, 2-trifluoromethyl-5-nitro- is C4H2F3N3O2.
What is the molecular weight of Imidazole, 2-trifluoromethyl-5-nitro-?
The molecular weight of Imidazole, 2-trifluoromethyl-5-nitro- is 181.01 g/mol.
Where can I buy Imidazole, 2-trifluoromethyl-5-nitro-?
You can request a quote for Imidazole, 2-trifluoromethyl-5-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Imidazole, 2-trifluoromethyl-5-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Imidazole, 2-trifluoromethyl-5-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.