Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate
TL;DR: Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate (CAS 68771-70-0) is a chemical compound with molecular formula C52H46N6O10S2 and molecular weight 978.27 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-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]naphthalene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate, 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]naphthalene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 3,3'-[Naphthalene-1,4-diylbis(carbonylazanediyl-4,1-phenylenecarbonylazanediyl)]bis(1-methylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate), RefChem:377128
| Molecular Formula | C52H46N6O10S2 |
|---|---|
| Molecular Weight | 978.27 g/mol |
| LogP | 7.29624 |
| Topological Polar Surface Area | 238.56 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 978.27167 |
| Heavy Atoms | 70 |
| Complexity | 3195.9004 |
Chemical Identifiers
| CAS Number | 68771-70-0 |
|---|---|
| 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(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](=CC=C6)C |
Product Overview
Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate (CAS 68771-70-0), with molecular formula C52H46N6O10S2 and molecular weight 978.27 g/mol. IUPAC: 1-N,4-N-bis[4-[(1-methylpyridin-1-ium-3-yl)carbamoyl]phenyl]naphthalene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate
Property Insights of Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate
The XLogP value of 7.29624 indicates that Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 238.56 Ų indicates high polarity, suggesting Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-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'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate?
The CAS number of Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate is 68771-70-0.
What is the molecular formula of Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate?
The molecular formula of Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate is C52H46N6O10S2.
What is the molecular weight of Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate?
The molecular weight of Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate is 978.27 g/mol.
Where can I buy Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate?
You can request a quote for Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-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'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3,3'-(1,4-naphthylenebis(carbonylimino-p-phenylenecarbonylimino))bis(1-methyldi-p-toluenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.