Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
TL;DR: Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) (CAS 53416-95-8) is a chemical compound with molecular formula C42H43N9O7S2 and molecular weight 849.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-[(6-amino-1-methylquinolin-4-ylidene)amino]-N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid
Also Known As: Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2), 2-amino-4-[(6-amino-1-methylquinolin-4-ylidene)amino]-N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide; 4-methylbenzenesulfonate; 4-methylbenzenesulfonic acid, RefChem:1097921
| Molecular Formula | C42H43N9O7S2 |
|---|---|
| Molecular Weight | 849.27 g/mol |
| LogP | 5.01914 |
| Topological Polar Surface Area | 278.81 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 849.2727 |
| Heavy Atoms | 60 |
| Complexity | 2920.0354 |
Chemical Identifiers
| CAS Number | 53416-95-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C=CC(=NC2=CC(=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=C[N+](=C(N=C4N)N)C)N)C5=C1C=CC(=C5)N |
Product Overview
Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) (CAS 53416-95-8), with molecular formula C42H43N9O7S2 and molecular weight 849.27 g/mol. IUPAC: 2-amino-4-[(6-amino-1-methylquinolin-4-ylidene)amino]-N-[4-(2,4-diamino-1-methylpyrimidin-1-ium-5-yl)phenyl]benzamide;4-methylbenzenesulfonate;4-methylbenzenesulfonic acid.
Chemical Property Profile of Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
Property Insights of Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)
The XLogP value of 5.01914 indicates that Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 278.81 Ų indicates high polarity, suggesting Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) has 6 hydrogen bond donor(s) and 12 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-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)?
The CAS number of Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) is 53416-95-8.
What is the molecular formula of Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)?
The molecular formula of Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) is C42H43N9O7S2.
What is the molecular weight of Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)?
The molecular weight of Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) is 849.27 g/mol.
Where can I buy Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)?
You can request a quote for Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) 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-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 6-amino-4-((3-amino-4-(((4-(2,4-diamino-1-methylpyrimidinium-5-yl)phenyl)amino)carbonyl)phenyl)amino)-1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.