TL;DR: (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (CAS 1212314-82-3) is a chemical compound with molecular formula C19H20N2O2 and molecular weight 308.15247 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3aS,7aR)-2-[3-(1H-indol-3-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
Also Known As: (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, (3aR,7aS)-2-[3-(1H-indol-3-yl)propyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione, (3aR,7aS)-2-[3-(1H-indol-3-yl)propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
| Molecular Formula | C19H20N2O2 |
| Molecular Weight | 308.15247 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 53.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.15247 Da |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
| SMILES | C1C=CC[C@H]2[C@@H]1C(=O)N(C2=O)CCCC3=CNC4=CC=CC=C43 |
| InChIKey | GPWZNAGGPATAOO-IYBDPMFKSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 53.2 Ų, (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 1212314-82-3.
The molecular formula of (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is C19H20N2O2.
The molecular weight of (3aR,7aS)-2-(3-(1H-indol-3-yl)propyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione is 308.15247 g/mol.
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