TL;DR: Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)- (CAS 27695-60-9) is a chemical compound with molecular formula C22H17Cl2NO4 and molecular weight 429.05347 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-phenoxyphenyl)ethanone
Also Known As: 2-((4-(Dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)ethanone, Ketone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)-, ETHANONE, 2-((4-(DICHLOROACETYL)PHENYL)AMINO)-2-HYDROXY-1-(4-PHENOXYPHENYL)-, 2-[4-(2,2-dichloroacetyl)anilino]-2-hydroxy-1-(4-phenoxyphenyl)ethanone, 2,2-Dichloro-1-(4-{[1-hydroxy-2-oxo-2-(4-phenoxyphenyl)ethyl]amino}phenyl)ethan-1-one
| Molecular Formula | C22H17Cl2NO4 |
| Molecular Weight | 429.05347 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 429.05347 Da |
| Heavy Atoms | 29 |
| Complexity | 537.0 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C(NC3=CC=C(C=C3)C(=O)C(Cl)Cl)O |
| InChIKey | FBJPVWAZTNGGLY-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)-. Following Lipinski's Rule of Five, Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)- is 27695-60-9.
The molecular formula of Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)- is C22H17Cl2NO4.
The molecular weight of Ethanone, 2-((4-(dichloroacetyl)phenyl)amino)-2-hydroxy-1-(4-phenoxyphenyl)- is 429.05347 g/mol.
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