TL;DR: 3-(4-Ethylanilino)pyrrolidine-2,5-dione (CAS 1008462-77-8) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.10553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-ethylanilino)pyrrolidine-2,5-dione
Also Known As: 3-(4-ethylanilino)pyrrolidine-2,5-dione, 3-[(4-ethylphenyl)amino]azolidine-2,5-dione, 3-((4-ethylphenyl)amino)pyrrolidine-2,5-dione, VU0407494-2, F3019-0020
| Molecular Formula | C12H14N2O2 |
| Molecular Weight | 218.10553 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 Da |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
| SMILES | CCC1=CC=C(C=C1)NC2CC(=O)NC2=O |
| InChIKey | YXAJXFRABJGARZ-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Ethylanilino)pyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 58.2 Ų, 3-(4-Ethylanilino)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Ethylanilino)pyrrolidine-2,5-dione has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(4-Ethylanilino)pyrrolidine-2,5-dione is 1008462-77-8.
The molecular formula of 3-(4-Ethylanilino)pyrrolidine-2,5-dione is C12H14N2O2.
The molecular weight of 3-(4-Ethylanilino)pyrrolidine-2,5-dione is 218.10553 g/mol.
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