TL;DR: 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)- (CAS 34924-83-9) is a chemical compound with molecular formula C20H19ClN2O and molecular weight 338.1186 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one
Also Known As: 5-23-02-00226 (Beilstein Handbook Reference), 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)-, 2,3-Dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)-1H-inden-1-one, 4-chloro-2-[(4-phenylpiperazin-1-yl)methylidene]-3H-inden-1-one, NSC 277480
| Molecular Formula | C20H19ClN2O |
| Molecular Weight | 338.1186 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.1186 Da |
| Heavy Atoms | 24 |
| Complexity | 492.0 |
| SMILES | C1CN(CCN1C=C2CC3=C(C2=O)C=CC=C3Cl)C4=CC=CC=C4 |
| InChIKey | LMQPEFFOPZAEAT-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)- 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 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)- is 34924-83-9.
The molecular formula of 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)- is C20H19ClN2O.
The molecular weight of 1H-Inden-1-one, 2,3-dihydro-4-chloro-2-((4-phenyl-1-piperazinyl)methylene)- is 338.1186 g/mol.
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