TL;DR: 3-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione (CAS 1008220-64-1) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione
Also Known As: 3-(cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione, 3-(Cyclopropylamino)-1-(p-tolyl)pyrrolidine-2,5-dione, 2,5-Pyrrolidinedione, 3-(cyclopropylamino)-1-(4-methylphenyl)-, W-8976, AN-919/13590013
| Molecular Formula | C14H16N2O2 |
| Molecular Weight | 244.12119 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.12119 Da |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=O)CC(C2=O)NC3CC3 |
| InChIKey | PTNVQUCRQHQMJM-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione. With a topological polar surface area (TPSA) of 49.4 Ų, 3-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione has 1 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-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is 1008220-64-1.
The molecular formula of 3-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is C14H16N2O2.
The molecular weight of 3-(Cyclopropylamino)-1-(4-methylphenyl)pyrrolidine-2,5-dione is 244.12119 g/mol.
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