bis(4-methylbenzenesulfonate)4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide structure

bis(4-methylbenzenesulfonate)4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide

bis(4-methylbenzenesulfonate);4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide

CAS: 18519-60-3
Molecular Formula C48H50N4O8S2
Molecular Weight 875.1 g/mol
Topological Polar Surface Area 197.0 A2
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 10
Exact Mass 874.307
Heavy Atoms 62
Complexity 1000.0

Chemical Identifiers

CAS Number 18519-60-3
SMILES CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
InChIKey PKJFWDQHJVDWCH-UHFFFAOYSA-N

📖 Product Overview

bis(4-methylbenzenesulfonate)4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide (CAS: 18519-60-3) is a chemical compound with molecular formula C48H50N4O8S2 and molecular weight 875.1 g/mol. Its IUPAC systematic name is bis(4-methylbenzenesulfonate);4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide. Topological Polar Surface Area 197.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 10 Exact Mass 874.307 Heavy Atoms 62 Complexity 1000.0 InChI Key: PKJFWDQHJVDWCH-UHFFFAOYSA-N. SMILES: CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Frequently Asked Questions

What is the typical lead time for this product?
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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for bis(4-methylbenzenesulfonate)4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide.

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