3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate
TL;DR: 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate (CAS 21780-36-9) is a chemical compound with molecular formula C45H47N5O9S2 and molecular weight 865.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-N-(1-propylpyridin-1-ium-3-yl)-1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
Also Known As: 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate, Pyridinium, 1-propyl-3-(p-(p-((1-propylpyridinium-3-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate, 1-propyl-3-{[4-({4-[(1-propylpyridinium-3-yl)carbamoyl]benzoyl}amino)benzoyl]amino}pyridinium bis(4-methylbenzenesulfonate), 1-Propyl-3-(4-{4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]benzamido}benzamido)pyridin-1-ium bis(4-methylbenzene-1-sulfonate), 4-methylbenzenesulfonate; 4-N-(1-propylpyridin-1-ium-3-yl)-1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide
| Molecular Formula | C45H47N5O9S2 |
|---|---|
| Molecular Weight | 865.28 g/mol |
| LogP | 6.63674 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 865.2815 |
| Heavy Atoms | 61 |
| Complexity | 984.0 |
Chemical Identifiers
| CAS Number | 21780-36-9 |
|---|---|
| SMILES | CCC[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=C[N+](=CC=C4)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | LSYHQRCOXFPRCU-UHFFFAOYSA-N |
Product Overview
3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate (CAS 21780-36-9), with molecular formula C45H47N5O9S2 and molecular weight 865.28 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-N-(1-propylpyridin-1-ium-3-yl)-1-N-[4-[(1-propylpyridin-1-ium-3-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide.
Chemical Property Profile of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate
Property Insights of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate
The XLogP value of 6.63674 indicates that 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate?
The CAS number of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate is 21780-36-9.
What is the molecular formula of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate?
The molecular formula of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate is C45H47N5O9S2.
What is the molecular weight of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate?
The molecular weight of 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate is 865.28 g/mol.
Where can I buy 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate?
You can request a quote for 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Carbonyliminobis(p-phenylenecarbonylimino))bis(1-propylpyridinium) ditosylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.