TL;DR: 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride (CAS 16188-74-2) is a chemical compound with molecular formula C20H24ClN3O and molecular weight 357.1608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-benzyl-2-[3-(dimethylamino)propyl]phthalazin-1-one;hydrochloride
Also Known As: HL 2188, 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride, 4-Benzyl-2-(3-(dimethylamino)propyl)-1(2H)-phthalazinone hydrochloride, 4-benzyl-2-[3-(dimethylamino)propyl]phthalazin-1-one hydrochloride, 1(2H)-Phthalazinone, 4-benzyl-2-[3-(dimethylamino)propyl]-, monohydrochloride
| Molecular Formula | C20H24ClN3O |
| Molecular Weight | 357.1608 g/mol |
| XLogP | 3.3608 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.1608 Da |
| Heavy Atoms | 25 |
| Complexity | 454.0 |
| SMILES | CN(C)CCCN1C(=O)C2=CC=CC=C2C(=N1)CC3=CC=CC=C3.Cl |
| InChIKey | KMKUVFSNIVILIF-UHFFFAOYSA-N |
The XLogP value of 3.3608 indicates that 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride has 1 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 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride is 16188-74-2.
The molecular formula of 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride is C20H24ClN3O.
The molecular weight of 1(2H)-Phthalazinone, 4-benzyl-2-(3-(dimethylamino)propyl)-, hydrochloride is 357.1608 g/mol.
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