Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate
TL;DR: Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate (CAS 81944-17-4) is a chemical compound with molecular formula C46H44N6O8S2 and molecular weight 872.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-N-[4-[(1-methylpyridin-1-ium-3-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide
Also Known As: Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate, 1-methyl-3-[(4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)benzoyl]amino}phenyl)amino]pyridinium bis(4-methylbenzenesulfonate), 4-methylbenzenesulfonate; 4-N-[4-[(1-methylpyridin-1-ium-3-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide
| Molecular Formula | C46H44N6O8S2 |
|---|---|
| Molecular Weight | 872.27 g/mol |
| LogP | 7.12564 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 872.2662 |
| Heavy Atoms | 62 |
| Complexity | 986.0 |
Chemical Identifiers
| CAS Number | 81944-17-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)NC5=C[N+](=CC=C5)C |
| InChIKey | DROVUFVDSOIUQG-UHFFFAOYSA-N |
Product Overview
Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate (CAS 81944-17-4), with molecular formula C46H44N6O8S2 and molecular weight 872.27 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-N-[4-[(1-methylpyridin-1-ium-3-yl)amino]phenyl]-1-N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzene-1,4-dicarboxamide.
Chemical Property Profile of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate
Property Insights of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate
The XLogP value of 7.12564 indicates that Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate?
The CAS number of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate is 81944-17-4.
What is the molecular formula of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate?
The molecular formula of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate is C46H44N6O8S2.
What is the molecular weight of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate?
The molecular weight of Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate is 872.27 g/mol.
Where can I buy Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate?
You can request a quote for Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))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, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-methyl-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.