TL;DR: 1-(4-Bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione (CAS 522638-10-4) is a chemical compound with molecular formula C20H20BrN3O3 and molecular weight 429.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: 1-(4-bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione, 1-(4-bromophenyl)-3-(4-(4-hydroxyphenyl)piperazin-1-yl)pyrrolidine-2,5-dione, 1-(4-BROMOPHENYL)-3-[4-(4-HYDROXYPHENYL)PIPERAZINO]DIHYDRO-1H-PYRROLE-2,5-DIONE
| Molecular Formula | C20H20BrN3O3 |
| Molecular Weight | 429.0688 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 429.0688 Da |
| Heavy Atoms | 27 |
| Complexity | 551.0 |
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)O |
| InChIKey | OQFXOSDQVDMIJR-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that 1-(4-Bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-Bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is 522638-10-4.
The molecular formula of 1-(4-Bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is C20H20BrN3O3.
The molecular weight of 1-(4-Bromophenyl)-3-[4-(4-hydroxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione is 429.0688 g/mol.
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