TL;DR: 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine (CAS 159860-07-8) is a chemical compound with molecular formula C16H16ClN5O4 and molecular weight 377.08908 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-chloro-4,6-dinitrophenyl)diazenyl]-N,N-diethylaniline
Also Known As: Sabcomeline, 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine, 2,4-Dinitro-6-chloro-4 -(diethylamino)azobenzene, 4-((2-Chloro-4,6-dinitrophenyl)diazenyl)-N,N-diethylaniline, 6-Chloro-2,4-dinitro-4 -(diethylamino)azobenzene
| Molecular Formula | C16H16ClN5O4 |
| Molecular Weight | 377.08908 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.08908 Da |
| Heavy Atoms | 26 |
| Complexity | 512.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NNAOTQQRYPJRGP-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine. Following Lipinski's Rule of Five, 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine 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 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine is 159860-07-8.
The molecular formula of 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine is C16H16ClN5O4.
The molecular weight of 4-((2-Chloro-4,6-dinitrophenyl)azo)-N,N-diethylbenzenamine is 377.08908 g/mol.
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