TL;DR: 1-(1,3-Dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid (CAS 148930-71-6) is a chemical compound with molecular formula C12H9NO4 and molecular weight 231.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid
Also Known As: 7-O-(Triethylsilyl)taxol, 1-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid, 1-(1,3-dioxoisoindolin-2-yl)cyclopropanecarboxylic acid, 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylic acid, AB-131/42301746
| Molecular Formula | C12H9NO4 |
| Molecular Weight | 231.05316 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.05316 Da |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
| SMILES | C1CC1(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | UMAOBVDWRYDLKW-UHFFFAOYSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-Dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid. Following Lipinski's Rule of Five, 1-(1,3-Dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid has 1 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 1-(1,3-Dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid is 148930-71-6.
The molecular formula of 1-(1,3-Dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid is C12H9NO4.
The molecular weight of 1-(1,3-Dioxoisoindol-2-yl)cyclopropane-1-carboxylic acid is 231.05316 g/mol.
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