TL;DR: [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate (CAS 158978-81-5) is a chemical compound with molecular formula C28H36N2O10 and molecular weight 560.237 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate
Also Known As: [1,4-bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate|2-Piperazinemethanol, 1,4-bis(3,4,5-trimethoxybenzoyl)-, propanoate (ester)|CHEMBL375809
| Molecular Formula | C28H36N2O10 |
| Molecular Weight | 560.237 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 560.237 Da |
| Heavy Atoms | 40 |
| Complexity | 816.0 |
| SMILES | CCC(=O)OCC1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC |
| InChIKey | JLMHSWNOVRJMBK-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate. Following Lipinski's Rule of Five, [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate is 158978-81-5.
The molecular formula of [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate is C28H36N2O10.
The molecular weight of [1,4-Bis(3,4,5-trimethoxybenzoyl)piperazin-2-yl]methyl propanoate is 560.237 g/mol.
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