TL;DR: 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester) (CAS 149848-13-5) is a chemical compound with molecular formula C36H38N2O4 and molecular weight 562.28314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[4-(3-benzoyloxy-3-phenylpropyl)piperazin-1-yl]-1-phenylpropyl] benzoate
Also Known As: alpha,alpha'-Diphenyl-1,4-piperazinedipropanol dibenzoate (ester), 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester), (Piperazine-1,4-diyl)bis(1-phenylpropane-3,1-diyl) dibenzoate, [3-[4-(3-benzoyloxy-3-phenylpropyl)piperazin-1-yl]-1-phenylpropyl] benzoate
| Molecular Formula | C36H38N2O4 |
| Molecular Weight | 562.28314 g/mol |
| XLogP | 6.9 |
| Topological Polar Surface Area (TPSA) | 59.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 562.28314 Da |
| Heavy Atoms | 42 |
| Complexity | 722.0 |
| SMILES | C1CN(CCN1CCC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)CCC(C4=CC=CC=C4)OC(=O)C5=CC=CC=C5 |
| InChIKey | DESSPLIMLYZHPJ-UHFFFAOYSA-N |
The XLogP value of 6.9 indicates that 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (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-, dibenzoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester) is 149848-13-5.
The molecular formula of 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester) is C36H38N2O4.
The molecular weight of 1,4-Piperazinedipropanol, alpha,alpha'-diphenyl-, dibenzoate (ester) is 562.28314 g/mol.
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