TL;DR: Ethanol, 2-[[4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]- (CAS 68391-44-6) is a chemical compound with molecular formula C18H14BrN5O5 and molecular weight 459.01782 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-[(2-bromo-4,6-dinitrophenyl)diazenyl]naphthalen-1-yl]amino]ethanol
Also Known As: 2-[[4-[azo]-1-naphthyl]amino]ethanol, 2-[[4-[ azo]-1-naphthyl]amino]ethanol, Ethanol, 2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-1-naphthalenyl]amino]-, Naphthalene, 4-(2-bromo-4,6-dinitrophenylazo)-N-beta-hydroxyethylamino-, 2-((4-((2-Bromo-4,6-dinitrophenyl)azo)-1-naphthyl)amino)ethanol
| Molecular Formula | C18H14BrN5O5 |
| Molecular Weight | 459.01782 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.01782 Da |
| Heavy Atoms | 29 |
| Complexity | 612.0 |
| SMILES | C1=CC=C2C(=C1)C(=CC=C2N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-])NCCO |
| InChIKey | VWGJTRUCDOJLSW-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Ethanol, 2-[[4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Ethanol, 2-[[4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethanol, 2-[[4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanol, 2-[[4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]- is 68391-44-6.
The molecular formula of Ethanol, 2-[[4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]- is C18H14BrN5O5.
The molecular weight of Ethanol, 2-[[4-[2-(2-bromo-4,6-dinitrophenyl)diazenyl]-1-naphthalenyl]amino]- is 459.01782 g/mol.
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