TL;DR: Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)- (CAS 106613-04-1) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-benzylpiperazine-1-carbonyl)chromen-4-one
Also Known As: Preproglucagon 78-108, 2-(4-benzylpiperazine-1-carbonyl)chromen-4-one, 2-[(4-Benzylpiperazino)carbonyl]chromone, AB01306979-01, Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)-
| Molecular Formula | C21H20N2O3 |
| Molecular Weight | 348.1474 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.1474 Da |
| Heavy Atoms | 26 |
| Complexity | 560.0 |
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=O)C4=CC=CC=C4O3 |
| InChIKey | YZAKXXZRPAGIGO-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)-. With a topological polar surface area (TPSA) of 49.9 Ų, Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)- is 106613-04-1.
The molecular formula of Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)- is C21H20N2O3.
The molecular weight of Piperazine, 1-[(4-oxo-4H-1-benzopyran-2-yl)carbonyl]-4-(phenylmethyl)- is 348.1474 g/mol.
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