TL;DR: Acetic acid 3,5,6-triacetoxy-1,4-diformyl-piperazin-2-YL ester (CAS 1534-18-5) is a chemical compound with molecular formula C14H18N2O10 and molecular weight 374.09613 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3,5,6-triacetyloxy-1,4-diformylpiperazin-2-yl) acetate
Also Known As: 1,4-Diformylpiperazine-2,3,5,6-tetrayl tetraacetate, 3,5,6-triacetyloxy-1,4-diformylpiperazin-2-yl acetate, (3,5,6-triacetyloxy-1,4-diformyl-piperazin-2-yl) Acetate, (3,5,6-triacetyloxy-1,4-diformylpiperazin-2-yl) acetate, ACETIC ACID 3,5,6-TRIACETOXY-1,4-DIFORMYL-PIPERAZIN-2-YL ESTER
| Molecular Formula | C14H18N2O10 |
| Molecular Weight | 374.09613 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 374.09613 Da |
| Heavy Atoms | 26 |
| Complexity | 511.0 |
| SMILES | CC(=O)OC1C(N(C(C(N1C=O)OC(=O)C)OC(=O)C)C=O)OC(=O)C |
| InChIKey | XESMKPHSYKSETA-UHFFFAOYSA-N |
The XLogP value of -0.8 indicates that Acetic acid 3,5,6-triacetoxy-1,4-diformyl-piperazin-2-YL ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 146.0 Ų indicates high polarity, suggesting Acetic acid 3,5,6-triacetoxy-1,4-diformyl-piperazin-2-YL ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid 3,5,6-triacetoxy-1,4-diformyl-piperazin-2-YL ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Acetic acid 3,5,6-triacetoxy-1,4-diformyl-piperazin-2-YL ester is 1534-18-5.
The molecular formula of Acetic acid 3,5,6-triacetoxy-1,4-diformyl-piperazin-2-YL ester is C14H18N2O10.
The molecular weight of Acetic acid 3,5,6-triacetoxy-1,4-diformyl-piperazin-2-YL ester is 374.09613 g/mol.
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