TL;DR: [4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone (CAS 113240-02-1) is a chemical compound with molecular formula C21H25ClN2O3 and molecular weight 388.15536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
Also Known As: Cgp-29030A, Piperazine, 1-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethoxybenzoyl)-, [4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone, 1-(4-Chlorophenethyl)-4-(3,5-dimethoxybenzoyl)piperazine, 1-[2-(4-chlorophenyl)ethyl]-4-(3,5-dimethoxybenzoyl)piperazine
| Molecular Formula | C21H25ClN2O3 |
| Molecular Weight | 388.15536 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.15536 Da |
| Heavy Atoms | 27 |
| Complexity | 450.0 |
| SMILES | COC1=CC(=CC(=C1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)Cl)OC |
| InChIKey | YPLSFHBFZLTZQF-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that [4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, [4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone 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 [4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is 113240-02-1.
The molecular formula of [4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is C21H25ClN2O3.
The molecular weight of [4-[2-(4-Chlorophenyl)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone is 388.15536 g/mol.
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