TL;DR: 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione (CAS 1008268-27-6) is a chemical compound with molecular formula C18H16N2O4 and molecular weight 324.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-ylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione
Also Known As: 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione, F3188-0124, 3-(1,3-benzodioxol-5-ylamino)-1-(3-methylphenyl)pyrrolidine-2,5-dione, 3-(benzo[d][1,3]dioxol-5-ylamino)-1-(m-tolyl)pyrrolidine-2,5-dione, 3-(2H-benzo[3,4-d]1,3-dioxolen-5-ylamino)-1-(3-methylphenyl)azolidine-2,5-dion e
| Molecular Formula | C18H16N2O4 |
| Molecular Weight | 324.111 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.111 Da |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
| SMILES | CC1=CC(=CC=C1)N2C(=O)CC(C2=O)NC3=CC4=C(C=C3)OCO4 |
| InChIKey | ZUMLVONMFIPTKC-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione is 1008268-27-6.
The molecular formula of 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione is C18H16N2O4.
The molecular weight of 3-[(2H-1,3-benzodioxol-5-yl)amino]-1-(3-methylphenyl)pyrrolidine-2,5-dione is 324.111 g/mol.
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