TL;DR: 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene (CAS 159269-60-0) is a chemical compound with molecular formula C16H11Cl2NO2 and molecular weight 319.0167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
Also Known As: 2,4-dichloro-1-[4-(4-nitrophenyl)buta-1,3-dien-1-yl]benzene, 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene
| Molecular Formula | C16H11Cl2NO2 |
| Molecular Weight | 319.0167 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.0167 Da |
| Heavy Atoms | 21 |
| Complexity | 398.0 |
| SMILES | C1=CC(=CC=C1/C=C/C=C/C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | MEJQVOQXTSNJPP-ZPUQHVIOSA-N |
The XLogP value of 5.9 indicates that 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene is 159269-60-0.
The molecular formula of 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene is C16H11Cl2NO2.
The molecular weight of 2,4-dichloro-1-[(1E,3E)-4-(4-nitrophenyl)buta-1,3-dienyl]benzene is 319.0167 g/mol.
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