TL;DR: 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid (CAS 1212204-73-3) is a chemical compound with molecular formula C17H24N2O4 and molecular weight 320.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-3-(1-propan-2-ylpiperidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid
Also Known As: 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid, 4-oxo-3-(1-propan-2-ylpiperidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-(1-isopropyl-4-piperidyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylic acid, 3-(1-ISOPROPYLPIPERIDIN-4-YL)-4-OXO-10-OXA-3-AZATRICYCLO[5.2.1.0(1),?]DEC-8-ENE-6-CARBOXYLIC ACID, 4-oxo-3-[1-(propan-2-yl)piperidin-4-yl]-10-oxa-3-azatricyclo[5.2.1.0(1),?]dec-8-ene-6-carboxylic acid
| Molecular Formula | C17H24N2O4 |
| Molecular Weight | 320.1736 g/mol |
| XLogP | -2.1 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.1736 Da |
| Heavy Atoms | 23 |
| Complexity | 567.0 |
| SMILES | CC(C)N1CCC(CC1)N2CC34C=CC(O3)C(C4C2=O)C(=O)O |
| InChIKey | WPMPUQODTSAUIV-UHFFFAOYSA-N |
The XLogP value of -2.1 indicates that 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid. Following Lipinski's Rule of Five, 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid 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 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 1212204-73-3.
The molecular formula of 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is C17H24N2O4.
The molecular weight of 1-oxo-2-[1-(propan-2-yl)piperidin-4-yl]-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid is 320.1736 g/mol.
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