TL;DR: methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate (CAS 131042-52-9) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate
Also Known As: methyl 2-(phthalimidooxy)propionate, methyl 2-(1,3-dioxoisoindol-2-yl)oxypropanoate, methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate, methyl 2-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)oxy]propanoate, J1.196.716G
| Molecular Formula | C12H11NO5 |
| Molecular Weight | 249.06372 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06372 Da |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
| SMILES | CC(C(=O)OC)ON1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | OJPDWUYTGIKAMD-UHFFFAOYSA-N |
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate. Following Lipinski's Rule of Five, methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate has 0 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 methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate is 131042-52-9.
The molecular formula of methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate is C12H11NO5.
The molecular weight of methyl 2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)oxy]propanoate is 249.06372 g/mol.
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