Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
TL;DR: Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate (CAS 68967-23-7) is a chemical compound with molecular formula C55H61N5O9S2 and molecular weight 999.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-[4-[(1-hexylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-hexylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate, 1-Hexyl-6-[4-({4-[(1-hexylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)benzamido]quinolin-1-ium bis(4-methylbenzene-1-sulfonate), 1-N-[4-[(1-hexylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-hexylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, Quinolinium, 1-hexyl-6-[[4-[[[4-[[(1-hexylpyridinium-3-yl)amino]carbonyl]phenyl]amino]carbonyl]benzoyl]amino]-, salt with 4-methylbenzenesulfonic acid (1:2), RefChem:378741
| Molecular Formula | C55H61N5O9S2 |
|---|---|
| Molecular Weight | 999.39 g/mol |
| LogP | 10.13054 |
| Topological Polar Surface Area | 209.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 18 |
| Exact Mass | 999.39105 |
| Heavy Atoms | 71 |
| Complexity | 3020.071 |
Chemical Identifiers
| CAS Number | 68967-23-7 |
|---|---|
| SMILES | CCCCCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate (CAS 68967-23-7), with molecular formula C55H61N5O9S2 and molecular weight 999.39 g/mol. IUPAC: 1-N-[4-[(1-hexylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-hexylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
Property Insights of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate
The XLogP value of 10.13054 indicates that Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 209.46 Ų indicates high polarity, suggesting Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate?
The CAS number of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate is 68967-23-7.
What is the molecular formula of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate?
The molecular formula of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate is C55H61N5O9S2.
What is the molecular weight of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate?
The molecular weight of Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate is 999.39 g/mol.
Where can I buy Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate?
You can request a quote for Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-hexyl-6-((p-(p-((1-hexylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.