TL;DR: Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)- (CAS 36371-61-6) is a chemical compound with molecular formula C32H34N4O3 and molecular weight 522.26306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-5-yl] formate
Also Known As: 5-25-17-00161 (Beilstein Handbook Reference), 5-Pyrimidinecarboxylic acid, 4-ethoxy-2-(4-(3,3,3-triphenylpropyl)-1-piperazinyl)-, Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)-, [4-ethoxy-2-[4-(3,3,3-triphenylpropyl)piperazin-1-yl]pyrimidin-5-yl] formate, 4-ethoxy-2-[4-(3,3,3-triphenyl-propyl)-piperazin-1-yl]-pyrimidine-5-carboxylic acid
| Molecular Formula | C32H34N4O3 |
| Molecular Weight | 522.26306 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 522.26306 Da |
| Heavy Atoms | 39 |
| Complexity | 667.0 |
| SMILES | CCOC1=NC(=NC=C1OC=O)N2CCN(CC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | WMWUZLJHXYFDDS-UHFFFAOYSA-N |
The XLogP value of 6.3 indicates that Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)-. Following Lipinski's Rule of Five, Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)- has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)- is 36371-61-6.
The molecular formula of Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)- is C32H34N4O3.
The molecular weight of Piperazine, 1-(5-carboxy-4-ethoxy-2-pyrimidinyl)-4-(3,3,3-triphenylpropyl)- is 522.26306 g/mol.
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