TL;DR: 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione (CAS 313378-55-1) is a chemical compound with molecular formula C24H29N3O4 and molecular weight 423.21582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
Also Known As: BAS 00702850, BRD-A08044453-001-01-7, 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione, 1-(3,4-dimethoxyphenethyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-phenylpiperazinyl)azolidine-2,5-dione
| Molecular Formula | C24H29N3O4 |
| Molecular Weight | 423.21582 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 423.21582 Da |
| Heavy Atoms | 31 |
| Complexity | 616.0 |
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)CC(C2=O)N3CCN(CC3)C4=CC=CC=C4)OC |
| InChIKey | NNPBGOFBGXVKJE-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is 313378-55-1.
The molecular formula of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is C24H29N3O4.
The molecular weight of 1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione is 423.21582 g/mol.
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