TL;DR: 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 827310-13-4) is a chemical compound with molecular formula C24H24N2O and molecular weight 356.18887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-(benzhydrylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone, 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-(Benzhydryl-amino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-ethanone, 1-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-[(diphenylmethyl)amino]ethan-1-one, Isoquinoline, 2-[[(diphenylmethyl)amino]acetyl]-1,2,3,4-tetrahydro-
| Molecular Formula | C24H24N2O |
| Molecular Weight | 356.18887 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.18887 Da |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
| SMILES | C1CN(CC2=CC=CC=C21)C(=O)CNC(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | MXPZJSVEERAKPK-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 827310-13-4.
The molecular formula of 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is C24H24N2O.
The molecular weight of 2-(Benzhydrylamino)-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 356.18887 g/mol.
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