Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
TL;DR: Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS 68771-94-8) is a chemical compound with molecular formula C52H55N9O10S2 and molecular weight 1029.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-N,4-N-bis[3-amino-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate, 2-amino-1-N,4-N-bis[3-amino-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 3,3'-{(2-Amino-1,4-phenylene)bis[carbonylazanediyl(2-amino-4,1-phenylene)carbonylazanediyl]}bis(1-propylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate), RefChem:377130
| Molecular Formula | C52H55N9O10S2 |
|---|---|
| Molecular Weight | 1029.35 g/mol |
| LogP | 6.63564 |
| Topological Polar Surface Area | 316.62 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 1029.3513 |
| Heavy Atoms | 73 |
| Complexity | 3281.405 |
Chemical Identifiers
| CAS Number | 68771-94-8 |
|---|---|
| SMILES | CCC[N+]1=CC=CC(=C1)NC(=O)C2=C(C=C(C=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC(=C(C=C4)C(=O)NC5=C[N+](=CC=C5)CCC)N)N)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate (CAS 68771-94-8), with molecular formula C52H55N9O10S2 and molecular weight 1029.35 g/mol. IUPAC: 2-amino-1-N,4-N-bis[3-amino-4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
Property Insights of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate
The XLogP value of 6.63564 indicates that Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 316.62 Ų indicates high polarity, suggesting Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate has 7 hydrogen bond donor(s) and 13 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'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate?
The CAS number of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate is 68771-94-8.
What is the molecular formula of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate?
The molecular formula of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate is C52H55N9O10S2.
What is the molecular weight of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate?
The molecular weight of Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate is 1029.35 g/mol.
Where can I buy Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate?
You can request a quote for Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, 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'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3,3'-(2-aminoterephthaloylbis(imino(2-amino-p-phenylene)carbonylimino))bis(1-propyl-, di-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.