Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate
TL;DR: Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate (CAS 68772-36-1) is a chemical compound with molecular formula C51H47N7O9S2 and molecular weight 965.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate, 4-N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 6-Amino-1-methyl-4-{4-[4-({4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)benzamido]anilino}quinolin-1-ium bis(4-methylbenzene-1-sulfonate), RefChem:378810
| Molecular Formula | C51H47N7O9S2 |
|---|---|
| Molecular Weight | 965.29 g/mol |
| LogP | 7.36974 |
| Topological Polar Surface Area | 247.51 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 965.28766 |
| Heavy Atoms | 69 |
| Complexity | 3280.8342 |
Chemical Identifiers
| CAS Number | 68772-36-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC(=CC2=C(C=C1)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](=CC=C6)C)N |
Product Overview
Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate (CAS 68772-36-1), with molecular formula C51H47N7O9S2 and molecular weight 965.29 g/mol. IUPAC: 4-N-[4-[(6-amino-1-methylquinolin-1-ium-4-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate
Property Insights of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate
The XLogP value of 7.36974 indicates that Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 247.51 Ų indicates high polarity, suggesting Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate?
The CAS number of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate is 68772-36-1.
What is the molecular formula of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate?
The molecular formula of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate is C51H47N7O9S2.
What is the molecular weight of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate?
The molecular weight of Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate is 965.29 g/mol.
Where can I buy Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate?
You can request a quote for Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)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, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 6-amino-1-methyl-4-(p-(p-((p-((1-methylpyridinium-3-yl)carbamoyl)phenyl)carbamoyl)benzamido)anilino)-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.