TL;DR: (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one (CAS 165614-62-0) is a chemical compound with molecular formula C15H9Cl2NO3 and molecular weight 320.99594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
Also Known As: (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one, (E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one, F1027-0024, (E)-1-(2,4-dichlorophenyl)-3-(p-nitrophenyl)-2-propen-1-one
| Molecular Formula | C15H9Cl2NO3 |
| Molecular Weight | 320.99594 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.99594 Da |
| Heavy Atoms | 21 |
| Complexity | 414.0 |
| SMILES | C1=CC(=CC=C1/C=C/C(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | GGZYMVHGKZNEOY-FPYGCLRLSA-N |
The XLogP value of 4.8 indicates that (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-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 (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-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 (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one is 165614-62-0.
The molecular formula of (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one is C15H9Cl2NO3.
The molecular weight of (2E)-1-(2,4-dichlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one is 320.99594 g/mol.
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