![5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole structure](/static/products/4780/478041-04-2.webp)
5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole
TL;DR: 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole (CAS 478041-04-2) is a chemical compound with molecular formula C10H7F3N4O3 and molecular weight 288.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]triazole
Also Known As: 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole, 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]triazole, 3R-0814
| Molecular Formula | C10H7F3N4O3 |
|---|---|
| Molecular Weight | 288.05 g/mol |
| LogP | 2.38252 |
| Topological Polar Surface Area | 83.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.04703 |
| Heavy Atoms | 20 |
| Complexity | 636.1876 |
Chemical Identifiers
| CAS Number | 478041-04-2 |
|---|---|
| SMILES | CC1=C(N=NN1C2=CC=C(C=C2)OC(F)(F)F)[N+](=O)[O-] |
Product Overview
5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole (CAS 478041-04-2), with molecular formula C10H7F3N4O3 and molecular weight 288.05 g/mol. IUPAC: 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]triazole.
Chemical Property Profile of 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole
Property Insights of 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole
The XLogP value of 2.38252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole. The TPSA of 83.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole. Following Lipinski's Rule of Five, 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole has 0 hydrogen bond donor(s) and 5 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-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole?
The CAS number of 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole is 478041-04-2.
What is the molecular formula of 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole?
The molecular formula of 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole is C10H7F3N4O3.
What is the molecular weight of 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole?
The molecular weight of 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole is 288.05 g/mol.
Where can I buy 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole?
You can request a quote for 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-4-nitro-1-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.