Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate
TL;DR: Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate (CAS 21948-46-9) is a chemical compound with molecular formula C54H56N6O10S2 and molecular weight 1012.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[4-[(1-butylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate, 3,3'-[benzene-1,4-diylbis(carbonyliminobenzene-4,1-diylcarbonylimino)]bis(1-butylpyridinium) bis(4-methylbenzenesulfonate), 1-N,4-N-bis[4-[(1-butylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 3,3'-[1,4-Phenylenebis(carbonylazanediyl-4,1-phenylenecarbonylazanediyl)]bis(1-butylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate), RefChem:377158
| Molecular Formula | C54H56N6O10S2 |
|---|---|
| Molecular Weight | 1012.35 g/mol |
| LogP | 8.66924 |
| Topological Polar Surface Area | 255.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 1012.3499 |
| Heavy Atoms | 72 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 21948-46-9 |
|---|---|
| SMILES | CCCC[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)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | XJNGQGFXBMNNLT-UHFFFAOYSA-N |
Product Overview
Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate (CAS 21948-46-9), with molecular formula C54H56N6O10S2 and molecular weight 1012.35 g/mol. IUPAC: 1-N,4-N-bis[4-[(1-butylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate
Property Insights of Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate
The XLogP value of 8.66924 indicates that Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 255.0 Ų indicates high polarity, suggesting Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, 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, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate?
The CAS number of Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate is 21948-46-9.
What is the molecular formula of Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate?
The molecular formula of Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate is C54H56N6O10S2.
What is the molecular weight of Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate?
The molecular weight of Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate is 1012.35 g/mol.
Where can I buy Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate?
You can request a quote for Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, 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-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3,3'-(terephthaloylbis(imino-p-phenylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.