Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
TL;DR: Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate (CAS 68771-82-4) is a chemical compound with molecular formula C48H46N8O10S2 and molecular weight 958.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-[2-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]-1-N-[3-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate, 3-{2-Amino-4-[4-({2-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl}carbamoyl)benzamido]benzamido}-1-methylpyridin-1-ium bis(4-methylbenzene-1-sulfonate), 4-N-[2-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]-1-N-[3-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, RefChem:377144
| Molecular Formula | C48H46N8O10S2 |
|---|---|
| Molecular Weight | 958.28 g/mol |
| LogP | 5.30744 |
| Topological Polar Surface Area | 290.6 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 958.27783 |
| Heavy Atoms | 68 |
| Complexity | 3131.7612 |
Chemical Identifiers
| CAS Number | 68771-82-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=C[N+](=CC=C5)C)N)N |
Product Overview
Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate (CAS 68771-82-4), with molecular formula C48H46N8O10S2 and molecular weight 958.28 g/mol. IUPAC: 4-N-[2-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]-1-N-[3-amino-4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
Property Insights of Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate
The XLogP value of 5.30744 indicates that Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 290.6 Ų indicates high polarity, suggesting Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate 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 Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate?
The CAS number of Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate is 68771-82-4.
What is the molecular formula of Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate?
The molecular formula of Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate is C48H46N8O10S2.
What is the molecular weight of Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate?
The molecular weight of Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate is 958.28 g/mol.
Where can I buy Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate?
You can request a quote for Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, 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 Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3,3'-(terephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-methyl-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.