TL;DR: 3-(4-Benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione (CAS 511515-26-7) is a chemical compound with molecular formula C22H24ClN3O2 and molecular weight 397.1557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione
Also Known As: 3-(4-benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione, AJ-292/41685724, 1-(2-chloro-4-methylphenyl)-3-[4-benzylpiperazinyl]azolidine-2,5-dione, 3-(4-benzylpiperazin-1-yl)-1-(2-chloro-4-methyl-phenyl)pyrrolidine-2,5-dione, Cambridge id 7354458
| Molecular Formula | C22H24ClN3O2 |
| Molecular Weight | 397.1557 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1557 Da |
| Heavy Atoms | 28 |
| Complexity | 572.0 |
| SMILES | CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)CC4=CC=CC=C4)Cl |
| InChIKey | FIQPYDWMZCUIIW-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-(4-Benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 3-(4-Benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione has 0 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 3-(4-Benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione is 511515-26-7.
The molecular formula of 3-(4-Benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione is C22H24ClN3O2.
The molecular weight of 3-(4-Benzylpiperazin-1-yl)-1-(2-chloro-4-methylphenyl)pyrrolidine-2,5-dione is 397.1557 g/mol.
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