TL;DR: (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one (CAS 1075247-30-1) is a chemical compound with molecular formula C17H16ClNO and molecular weight 285.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]prop-2-en-1-one
Also Known As: 3-(4-Chloro-phenyl)-1-(4-dimethylamino-phenyl)-propenone, 3-(4-chlorophenyl)-1-(4-dimethylaminophenyl)prop-2-en-1-one, (E)-3-(4-chlorophenyl)-1-(4-dimethylaminophenyl)prop-2-en-1-one, (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one, (2E)-3-(4-CHLOROPHENYL)-1-[4-(DIMETHYLAMINO)PHENYL]PROP-2-EN-1-ONE
| Molecular Formula | C17H16ClNO |
| Molecular Weight | 285.09204 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.09204 Da |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Cl |
| InChIKey | WSEJNECNEZUWON-LFYBBSHMSA-N |
The XLogP value of 3.8 indicates that (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one is 1075247-30-1.
The molecular formula of (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one is C17H16ClNO.
The molecular weight of (2E)-3-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-2-propen-1-one is 285.09204 g/mol.
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