TL;DR: 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate (CAS 1004706-01-7) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-methylbenzoate
Also Known As: 2-(4-(4-methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate, 2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl 4-methylbenzoate, [2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl] 4-methylbenzoate, F6609-1782
| Molecular Formula | C21H24N2O4 |
| Molecular Weight | 368.1736 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1736 Da |
| Heavy Atoms | 27 |
| Complexity | 488.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)C3=CC=C(C=C3)OC |
| InChIKey | AMIODPQFISQDIV-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate is 1004706-01-7.
The molecular formula of 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate is C21H24N2O4.
The molecular weight of 2-(4-(4-Methoxyphenyl)piperazin-1-yl)-2-oxoethyl 4-methylbenzoate is 368.1736 g/mol.
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