TL;DR: 3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate (CAS 149848-04-4) is a chemical compound with molecular formula C22H28N2O2 and molecular weight 352.2151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] 2-phenylacetate
Also Known As: [3-1-phenyl-propyl]2-phenylacetate|3-(4-Methyl-1-piperazinyl)-1-phenylpropyl benzeneacetate|[3- -1-phenyl-propyl]2-phenylacetate|Benzeneacetic acid, 3-(4-methyl-1-piperazinyl)-1-phenylpropyl ester|[3-(4-methylpiperazin-1-yl)-1-phenylpropyl] 2-phenylacetate|3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate|[3-(4-methylpiperazin-1-yl)-1-phenyl-propyl] 2-phenylacetate|3-(4-METHYLPIPERAZIN-1-YL)-1-PHENYLPROPYL 2-PHENYLACETATE|Phenylacetic acid 3-(4-methylpiperazin-1-yl)-1-phenylpropyl ester
| Molecular Formula | C22H28N2O2 |
| Molecular Weight | 352.2151 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 352.2151 Da |
| Heavy Atoms | 26 |
| Complexity | 408.0 |
| SMILES | CN1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)CC3=CC=CC=C3 |
| InChIKey | KCZPEZUEHNQJEL-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate 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 3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate is 149848-04-4.
The molecular formula of 3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate is C22H28N2O2.
The molecular weight of 3-(4-Methylpiperazin-1-yl)-1-phenylpropyl phenylacetate is 352.2151 g/mol.
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