TL;DR: 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline (CAS 139954-00-0) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-propan-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 6-(propan-2-yl)-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline, 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline, 6-propan-2-yl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.12593 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.12593 Da |
| Heavy Atoms | 16 |
| Complexity | 256.0 |
| SMILES | CC(C)N1CCC2=CC3=C(C=C2C1)OCO3 |
| InChIKey | ZROVRFKCUNXEBM-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline. With a topological polar surface area (TPSA) of 21.7 Ų, 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 139954-00-0.
The molecular formula of 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is C13H17NO2.
The molecular weight of 6-Isopropyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline is 219.12593 g/mol.
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