TL;DR: 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium (CAS 16504-14-6) is a chemical compound with molecular formula C20H18NO4+ and molecular weight 336.1236 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
16,17-dimethoxy-20-methyl-5,7-dioxa-20-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(20),2,4(8),9,12,14,16,18-octaene
Also Known As: dimethoxy(methyl)[?], 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium
| Molecular Formula | C20H18NO4+ |
| Molecular Weight | 336.1236 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1236 Da |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
| SMILES | C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)CC4=CC5=C(C=C42)OCO5 |
| InChIKey | PLFPONPYHSHMAW-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium has 0 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 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium is 16504-14-6.
The molecular formula of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium is C20H18NO4+.
The molecular weight of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium is 336.1236 g/mol.
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