TL;DR: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1) (CAS 110406-62-7) is a chemical compound with molecular formula C32H37ClFN3O4 and molecular weight 581.24567 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-fluorophenyl)methyl]-2-[1-[3-(3,4,5-trimethoxyphenyl)propyl]piperidin-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1), 4-[(4-fluorophenyl)methyl]-2-[1-[3-(3,4,5-trimethoxyphenyl)propyl]piperidin-4-yl]phthalazin-1-one hydrochloride, 4-[(4-Fluorophenyl)methyl]-2-{1-[3-(3,4,5-trimethoxyphenyl)propyl]piperidin-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/1)
| Molecular Formula | C32H37ClFN3O4 |
| Molecular Weight | 581.24567 g/mol |
| XLogP | 5.8437 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 581.24567 Da |
| Heavy Atoms | 41 |
| Complexity | 828.0 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CCCN2CCC(CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl |
| InChIKey | AXZBGLDYJXNRKL-UHFFFAOYSA-N |
The XLogP value of 5.8437 indicates that 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1). Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1) has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1) is 110406-62-7.
The molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1) is C32H37ClFN3O4.
The molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3,4,5-trimethoxyphenyl)propyl)-4-piperidinyl)-, hydrochloride, hydrate (1:1:1) is 581.24567 g/mol.
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