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3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium structure
Fine Chemical

3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium

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

CAS Number
16504-14-6
Molecular Formula
C20H18NO4+
Molecular Weight
336.1236 g/mol
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Technical Specifications

Molecular FormulaC20H18NO4+
Molecular Weight336.1236 g/mol
XLogP3.7
Topological Polar Surface Area (TPSA)40.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors4
Rotatable Bonds2
Exact Mass336.1236 Da
Heavy Atoms25
Complexity502.0
SMILESC[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)CC4=CC5=C(C=C42)OCO5
InChIKeyPLFPONPYHSHMAW-UHFFFAOYSA-N

Chemical Property Profile of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium

XLogP
3.7
TPSA (Topological Polar Surface Area)
40.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
4
Rotatable Bonds
2
Heavy Atoms
25
Complexity
502.0
Exact Mass
336.1236
Monoisotopic Mass
336.1236
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium

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.

Frequently Asked Questions

What is the CAS number of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium?

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.

What is the molecular formula of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium?

The molecular formula of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium is C20H18NO4+.

What is the molecular weight of 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium?

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.

Where can I buy 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium?

You can request a quote for 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium?

Yes, CoreyChem provides custom synthesis services for 3,4-dimethoxy-6-methyl-12H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinolin-6-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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