![1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole structure](/static/products/3142/314250-25-4.webp)
1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
TL;DR: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole (CAS 314250-25-4) is a chemical compound with molecular formula C9H5F3N4O2 and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole
Also Known As: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole, 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole, 1-(2-Nitro-4-(trifluoromethyl)phenyl)-1h-1,2,4-triazole, AB00710418-01, 1-(2-Nitro-4-trifluoromethyl-phenyl)-1H-[1,2,4]triazole
| Molecular Formula | C9H5F3N4O2 |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.03647 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 314250-25-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N2C=NC=N2 |
| InChIKey | KZMGWGNOCPTZDA-UHFFFAOYSA-N |
Product Overview
1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole (CAS 314250-25-4), with molecular formula C9H5F3N4O2 and molecular weight 258.04 g/mol. IUPAC: 1-[2-nitro-4-(trifluoromethyl)phenyl]-1,2,4-triazole.
Chemical Property Profile of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
Property Insights of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole has 0 hydrogen bond donor(s) and 7 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 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The CAS number of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole is 314250-25-4.
What is the molecular formula of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The molecular formula of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole is C9H5F3N4O2.
What is the molecular weight of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The molecular weight of 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole is 258.04 g/mol.
Where can I buy 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
You can request a quote for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-nitro-4-(trifluoromethyl)phenyl]-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.