TL;DR: 1-(4-Methoxybenzyl)pyrrolidine-2,5-dione (CAS 108640-66-0) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
Also Known As: 1-(4-methoxybenzyl)pyrrolidine-2,5-dione, N-(4-Methoxybenzyl)succinimide, 1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione, J1.669.760E, 2,5-Pyrrolidinedione, 1-[(4-methoxyphenyl)methyl]-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 266.0 |
| SMILES | COC1=CC=C(C=C1)CN2C(=O)CCC2=O |
| InChIKey | GXYKEWMYCBTVNR-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methoxybenzyl)pyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 46.6 Ų, 1-(4-Methoxybenzyl)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methoxybenzyl)pyrrolidine-2,5-dione has 0 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 1-(4-Methoxybenzyl)pyrrolidine-2,5-dione is 108640-66-0.
The molecular formula of 1-(4-Methoxybenzyl)pyrrolidine-2,5-dione is C12H13NO3.
The molecular weight of 1-(4-Methoxybenzyl)pyrrolidine-2,5-dione is 219.08954 g/mol.
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