Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
TL;DR: Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate (CAS 68772-21-4) is a chemical compound with molecular formula C45H44N4O7S2 and molecular weight 816.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-4-[(1-ethylquinolin-1-ium-4-yl)amino]benzamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate, 1-Ethyl-4-(4-{[4-(1-ethylpyridin-1-ium-4-yl)phenyl]carbamoyl}anilino)quinolin-1-ium bis(4-methylbenzene-1-sulfonate), N-[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-4-[(1-ethylquinolin-1-ium-4-yl)amino]benzamide; 4-methylbenzenesulfonate, RefChem:378730
| Molecular Formula | C45H44N4O7S2 |
|---|---|
| Molecular Weight | 816.27 g/mol |
| LogP | 7.91574 |
| Topological Polar Surface Area | 163.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 816.26514 |
| Heavy Atoms | 58 |
| Complexity | 2615.4087 |
Chemical Identifiers
| CAS Number | 68772-21-4 |
|---|---|
| SMILES | CC[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=[N+](C5=CC=CC=C45)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate (CAS 68772-21-4), with molecular formula C45H44N4O7S2 and molecular weight 816.27 g/mol. IUPAC: N-[4-(1-ethylpyridin-1-ium-4-yl)phenyl]-4-[(1-ethylquinolin-1-ium-4-yl)amino]benzamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
Property Insights of Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate
The XLogP value of 7.91574 indicates that Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.29 Ų indicates high polarity, suggesting Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate has 2 hydrogen bond donor(s) and 8 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-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate?
The CAS number of Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate is 68772-21-4.
What is the molecular formula of Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate?
The molecular formula of Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate is C45H44N4O7S2.
What is the molecular weight of Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate?
The molecular weight of Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate is 816.27 g/mol.
Where can I buy Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate?
You can request a quote for Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, 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-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 1-ethyl-4-(p-((p-(1-ethylpyridinium-4-yl)phenyl)carbamoyl)anilino)-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.