4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide
TL;DR: 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide (CAS 447433-67-2) is a chemical compound with molecular formula C21H11F6N5O7 and molecular weight 559.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]indazol-3-imine
Also Known As: A2597/0110447, 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide, 1-hydroxy-4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]indazol-3-imine, 4,6-dinitro-2-(4-(trifluoromethoxy)phenyl)-3-((4-(trifluoromethoxy)phenyl)amino)-2H-indazole 1-oxide, 4,6-DINITRO-2-[4-(TRIFLUOROMETHOXY)PHENYL]-3-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}-2H-INDAZOL-1-IUM-1-OLATE
| Molecular Formula | C21H11F6N5O7 |
|---|---|
| Molecular Weight | 559.06 g/mol |
| LogP | 5.5153 |
| Topological Polar Surface Area | 147.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.0563 |
| Heavy Atoms | 39 |
| Complexity | 1642.1652 |
Chemical Identifiers
| CAS Number | 447433-67-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N=C2C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N(N2C4=CC=C(C=C4)OC(F)(F)F)O)OC(F)(F)F |
Product Overview
4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide (CAS 447433-67-2), with molecular formula C21H11F6N5O7 and molecular weight 559.06 g/mol. IUPAC: 1-hydroxy-4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]indazol-3-imine.
Chemical Property Profile of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide
Property Insights of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide
The XLogP value of 5.5153 indicates that 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 147.19 Ų indicates high polarity, suggesting 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide?
The CAS number of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide is 447433-67-2.
What is the molecular formula of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide?
The molecular formula of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide is C21H11F6N5O7.
What is the molecular weight of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide?
The molecular weight of 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide is 559.06 g/mol.
Where can I buy 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide?
You can request a quote for 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dinitro-N,2-bis[4-(trifluoromethoxy)phenyl]-2H-indazol-3-amine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.