TL;DR: 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester) (CAS 149848-12-4) is a chemical compound with molecular formula C28H38N2O4 and molecular weight 466.28317 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-phenyl-3-[4-(3-phenyl-3-propanoyloxypropyl)piperazin-1-yl]propyl] propanoate
Also Known As: alpha,alpha'-Diphenyl-1,4-piperazinedipropanol dipropanoate (ester), 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester), (Piperazine-1,4-diyl)bis(1-phenylpropane-3,1-diyl) dipropanoate, [1-phenyl-3-[4-(3-phenyl-3-propanoyloxypropyl)piperazin-1-yl]propyl] propanoate
| Molecular Formula | C28H38N2O4 |
| Molecular Weight | 466.28317 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 466.28317 Da |
| Heavy Atoms | 34 |
| Complexity | 541.0 |
| SMILES | CCC(=O)OC(CCN1CCN(CC1)CCC(C2=CC=CC=C2)OC(=O)CC)C3=CC=CC=C3 |
| InChIKey | RKHGBIDHEXKZLE-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.1 Ų, 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester) is 149848-12-4.
The molecular formula of 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester) is C28H38N2O4.
The molecular weight of 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dipropanoate (ester) is 466.28317 g/mol.
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