TL;DR: 2-[(4-Chloroanilino)methylene]-3-phenyl-1-indanone (CAS 337921-23-0) is a chemical compound with molecular formula C22H16ClNO and molecular weight 345.09204 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2Z)-2-[(4-chloroanilino)methylidene]-3-phenyl-3H-inden-1-one
Also Known As: 2-[(4-chloroanilino)methylene]-3-phenyl-1-indanone, (2Z)-2-{[(4-chlorophenyl)amino]methylidene}-3-phenyl-2,3-dihydro-1H-inden-1-one, 10K-001, 2-(4-Chloroanilino)methylene-3-phenyl-1-indanone, (2Z)-2-[(4-chloroanilino)methylidene]-3-phenyl-3H-inden-1-one
| Molecular Formula | C22H16ClNO |
| Molecular Weight | 345.09204 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.09204 Da |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
| SMILES | C1=CC=C(C=C1)C\2C3=CC=CC=C3C(=O)/C2=C\NC4=CC=C(C=C4)Cl |
| InChIKey | LKNXYTPIERDUPP-ZHZULCJRSA-N |
The XLogP value of 5.6 indicates that 2-[(4-Chloroanilino)methylene]-3-phenyl-1-indanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2-[(4-Chloroanilino)methylene]-3-phenyl-1-indanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chloroanilino)methylene]-3-phenyl-1-indanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-[(4-Chloroanilino)methylene]-3-phenyl-1-indanone is 337921-23-0.
The molecular formula of 2-[(4-Chloroanilino)methylene]-3-phenyl-1-indanone is C22H16ClNO.
The molecular weight of 2-[(4-Chloroanilino)methylene]-3-phenyl-1-indanone is 345.09204 g/mol.
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