Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-
TL;DR: Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- (CAS 85167-64-2) is a chemical compound with molecular formula C17H9F6N5 and molecular weight 397.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-cyano-N-methyl-5-(trifluoromethyl)anilino]diazenyl]-4-(trifluoromethyl)benzonitrile
Also Known As: Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-, 2-[[2-cyano-N-methyl-5-(trifluoromethyl)anilino]diazenyl]-4-(trifluoromethyl)benzonitrile
| Molecular Formula | C17H9F6N5 |
|---|---|
| Molecular Weight | 397.08 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.0762 |
| Heavy Atoms | 28 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 85167-64-2 |
|---|---|
| SMILES | CN(C1=C(C=CC(=C1)C(F)(F)F)C#N)N=NC2=C(C=CC(=C2)C(F)(F)F)C#N |
| InChIKey | WUJMFSGFUFAHRS-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- (CAS 85167-64-2), with molecular formula C17H9F6N5 and molecular weight 397.08 g/mol. IUPAC: 2-[[2-cyano-N-methyl-5-(trifluoromethyl)anilino]diazenyl]-4-(trifluoromethyl)benzonitrile.
Chemical Property Profile of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-
Property Insights of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-
The XLogP value of 5.4 indicates that Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-. Following Lipinski's Rule of Five, Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-?
The CAS number of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- is 85167-64-2.
What is the molecular formula of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-?
The molecular formula of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- is C17H9F6N5.
What is the molecular weight of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-?
The molecular weight of Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- is 397.08 g/mol.
Where can I buy Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-?
You can request a quote for Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2,2'-(3-methyl-1-triazene-1,3-diyl)bis(4-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.