TL;DR: 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one (CAS 1596244-15-3) is a chemical compound with molecular formula C21H15NO3 and molecular weight 329.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-[4-(4-nitrophenyl)phenyl]-3-phenylprop-2-en-1-one
Also Known As: Chaloone, 4'-(p-nitrophenyl)-, 1-[4-(4-nitrophenyl)phenyl]-3-phenylprop-2-en-1-one, 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one, (E)-1-[4-(4-nitrophenyl)phenyl]-3-phenyl-prop-2-en-1-one, (E)-1-[4-(4-nitrophenyl)phenyl]-3-phenylprop-2-en-1-one
| Molecular Formula | C21H15NO3 |
| Molecular Weight | 329.1052 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1052 Da |
| Heavy Atoms | 25 |
| Complexity | 474.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | PTMVSVXGAAECBG-GIDUJCDVSA-N |
The XLogP value of 4.5 indicates that 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one. Following Lipinski's Rule of Five, 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one is 1596244-15-3.
The molecular formula of 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one is C21H15NO3.
The molecular weight of 1-(4'-(Hydroxy(oxido)amino)(1,1'-biphenyl)-4-yl)-3-phenyl-2-propen-1-one is 329.1052 g/mol.
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