TL;DR: RefChem:219020 (CAS 20884-95-1) is a chemical compound with molecular formula C19H21NO4S and molecular weight 359.11914 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: 5,6,7,8-Tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-1,3-dioxolo(4,5-g)isoquinoline, 1,2,3,4-Tetrahydro-1-(p-(isopropylsulfonyl)phenyl)-6,7-methylenedioxyisoquinoline, 1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-5-(p-(isopropylsulfonyl)phenyl)-, 5,6,7,8-Tetrahydro-5-[4- phenyl]-1,3-dioxolo[4,5-g]isoquinoline, 5-(4-propan-2-ylsulfonylphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
| Molecular Formula | C19H21NO4S |
| Molecular Weight | 359.11914 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.11914 Da |
| Heavy Atoms | 25 |
| Complexity | 564.0 |
| SMILES | CC(C)S(=O)(=O)C1=CC=C(C=C1)C2C3=CC4=C(C=C3CCN2)OCO4 |
| InChIKey | SRKFWJCAFAQJMD-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:219020. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:219020. Following Lipinski's Rule of Five, RefChem:219020 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 RefChem:219020 is 20884-95-1.
The molecular formula of RefChem:219020 is C19H21NO4S.
The molecular weight of RefChem:219020 is 359.11914 g/mol.
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