TL;DR: Ethanone, 1-[4-[(1E)-2-(4-nitrophenyl)diazenyl]phenyl]- (CAS 1402146-47-7) is a chemical compound with molecular formula C14H11N3O3 and molecular weight 269.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[(4-nitrophenyl)diazenyl]phenyl]ethanone
Also Known As: 4-Acetyl-4'-nitroazobenzene, 4-Acetyl-4 -nitroazobenzene, J3.123.958C, 1-[4-[(4-nitrophenyl)diazenyl]phenyl]ethanone, 1-{4-[2-(4-nitrophenyl)diazen-1-yl]phenyl}ethan-1-one
| Molecular Formula | C14H11N3O3 |
| Molecular Weight | 269.08005 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 87.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.08005 Da |
| Heavy Atoms | 20 |
| Complexity | 376.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | XGSMUJKWMDMXIP-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Ethanone, 1-[4-[(1E)-2-(4-nitrophenyl)diazenyl]phenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-[4-[(1E)-2-(4-nitrophenyl)diazenyl]phenyl]-. Following Lipinski's Rule of Five, Ethanone, 1-[4-[(1E)-2-(4-nitrophenyl)diazenyl]phenyl]- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-[4-[(1E)-2-(4-nitrophenyl)diazenyl]phenyl]- is 1402146-47-7.
The molecular formula of Ethanone, 1-[4-[(1E)-2-(4-nitrophenyl)diazenyl]phenyl]- is C14H11N3O3.
The molecular weight of Ethanone, 1-[4-[(1E)-2-(4-nitrophenyl)diazenyl]phenyl]- is 269.08005 g/mol.
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