TL;DR: 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]- (CAS 110920-14-4) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,5-dioxopyrrolidin-1-yl) 2-methylbenzoate
Also Known As: 2,5-Dioxopyrrolidin-1-yl 2-methylbenzoate, 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]-, (2,5-dioxopyrrolidin-1-yl) 2-methylbenzoate, 2-Methylbenzoic acid succinimidyl ester, 2,5-Dioxopyrrolidin-1-yl2-methylbenzoate
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.0688 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.0688 Da |
| Heavy Atoms | 17 |
| Complexity | 336.0 |
| SMILES | CC1=CC=CC=C1C(=O)ON2C(=O)CCC2=O |
| InChIKey | BZOOKZAPHQAQBI-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]-. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]-. Following Lipinski's Rule of Five, 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]- is 110920-14-4.
The molecular formula of 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]- is C12H11NO4.
The molecular weight of 2,5-Pyrrolidinedione, 1-[(2-methylbenzoyl)oxy]- is 233.0688 g/mol.
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