TL;DR: 2-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile (CAS 16889-10-4) is a chemical compound with molecular formula C18H16N6O2 and molecular weight 348.13348 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[2-cyanoethyl(ethyl)amino]phenyl]diazenyl]-5-nitrobenzonitrile
Also Known As: Disperse Red 73, Fantagen-rubine, Celliton Red GFL, Disperse Rubine GFL, Palanil Rubine FL
| Molecular Formula | C18H16N6O2 |
| Molecular Weight | 348.13348 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 348.13348 Da |
| Heavy Atoms | 26 |
| Complexity | 590.0 |
| SMILES | CCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N |
| InChIKey | QEORVDCGZONWCJ-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 2-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile. Following Lipinski's Rule of Five, 2-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile is 16889-10-4.
The molecular formula of 2-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile is C18H16N6O2.
The molecular weight of 2-(2-(4-((2-Cyanoethyl)ethylamino)phenyl)diazenyl)-5-nitrobenzonitrile is 348.13348 g/mol.
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