RefChem:378757
TL;DR: RefChem:378757 (CAS 18519-60-3) is a chemical compound with molecular formula C48H50N4O8S2 and molecular weight 874.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide
Also Known As: Quinolinium, 1-propyl-6-(p-((1-propylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate, Quinolinium, 6,6'-(alpha,p-phenethylenebis(carbonylimino))bis(1-propyl-, ditosylate, 6,6'-(alpha,p-Phenethylenebis(carbonylimino))bis(1-propylquinolinium) ditosylate, Quinolinium, 6-((1-oxo-3-(4-(((1-propylquinolinium-6-yl)amino)carbonyl)phenyl)propyl)amino)-1-propyl-, salt with 4-methylbenzenesulfonic acid (1:2), 4-Methylbenzenesulfonate; 4-methylbenzenesulfonate;4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide
| Molecular Formula | C48H50N4O8S2 |
|---|---|
| Molecular Weight | 874.31 g/mol |
| LogP | 8.01 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 874.307 |
| Heavy Atoms | 62 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 18519-60-3 |
|---|---|
| SMILES | CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | PKJFWDQHJVDWCH-UHFFFAOYSA-N |
Product Overview
RefChem:378757 (CAS 18519-60-3), with molecular formula C48H50N4O8S2 and molecular weight 874.31 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-[3-oxo-3-[(1-propylquinolin-1-ium-6-yl)amino]propyl]-N-(1-propylquinolin-1-ium-6-yl)benzamide.
Chemical Property Profile of RefChem:378757
Property Insights of RefChem:378757
The XLogP value of 8.01 indicates that RefChem:378757 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:378757 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378757 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378757?
The CAS number of RefChem:378757 is 18519-60-3.
What is the molecular formula of RefChem:378757?
The molecular formula of RefChem:378757 is C48H50N4O8S2.
What is the molecular weight of RefChem:378757?
The molecular weight of RefChem:378757 is 874.31 g/mol.
Where can I buy RefChem:378757?
You can request a quote for RefChem:378757 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378757?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378757 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.