TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride (CAS 117992-68-4) is a chemical compound with molecular formula C20H21Cl2N3O2 and molecular weight 405.10107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
Also Known As: 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride, Phthalimide, N-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride, 2-(2-(4-(3-Chlorophenyl)-1-piperazinyl)ethyl)-1H-isoindole-1,3(2H)-dione hydrochloride, 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione hydrochloride, 2-{2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl}-1H-isoindole-1,3(2H)-dione--hydrogen chloride (1/1)
| Molecular Formula | C20H21Cl2N3O2 |
| Molecular Weight | 405.10107 g/mol |
| XLogP | 3.18 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 405.10107 Da |
| Heavy Atoms | 27 |
| Complexity | 511.0 |
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl.Cl |
| InChIKey | LXUDFNVPRZVAHE-UHFFFAOYSA-N |
The XLogP value of 3.18 indicates that 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride has 1 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 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride is 117992-68-4.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride is C20H21Cl2N3O2.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl)-, hydrochloride is 405.10107 g/mol.
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