TL;DR: 1-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one (CAS 478040-36-7) is a chemical compound with molecular formula C22H16Cl2INO2 and molecular weight 522.96027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one
Also Known As: (E)-1-{3-[(2,4-dichlorobenzyl)oxy]phenyl}-3-(4-iodoanilino)-2-propen-1-one, 1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one, 1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-3-[(4-iodophenyl)amino]prop-2-en-1-one
| Molecular Formula | C22H16Cl2INO2 |
| Molecular Weight | 522.96027 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.96027 Da |
| Heavy Atoms | 28 |
| Complexity | 525.0 |
| SMILES | C1=CC(=CC(=C1)OCC2=C(C=C(C=C2)Cl)Cl)C(=O)C=CNC3=CC=C(C=C3)I |
| InChIKey | RQDWSCWQBMBCSW-UHFFFAOYSA-N |
The XLogP value of 7.3 indicates that 1-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one is 478040-36-7.
The molecular formula of 1-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one is C22H16Cl2INO2.
The molecular weight of 1-[3-[(2,4-Dichlorophenyl)methoxy]phenyl]-3-(4-iodoanilino)prop-2-en-1-one is 522.96027 g/mol.
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