RefChem:378748
TL;DR: RefChem:378748 (CAS 18519-58-9) is a chemical compound with molecular formula C44H42N4O8S2 and molecular weight 818.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide
Also Known As: Quinolinium, 1-methyl-6-(p-((1-methylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate, Quinolinium, 6,6'-(alpha,p-phenethylenebis(carbonylimino))bis(1-methyl-, ditosylate, 6,6'-(alpha,p-Phenethylenebis(carbonylimino))bis(1-methylquinolinium) ditosylate, Quinolinium, 1-methyl-6-((3-(4-(((1-methylquinolinium-6-yl)amino)carbonyl)phenyl)-1-oxopropylamino)-, salt with 4-methylbenzenesulfonic acid (1:2), 1-Methyl-6-(4-{3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl}benzamido)quinolin-1-ium bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C44H42N4O8S2 |
|---|---|
| Molecular Weight | 818.24 g/mol |
| LogP | 6.26 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 818.2444 |
| Heavy Atoms | 58 |
| Complexity | 944.0 |
Chemical Identifiers
| CAS Number | 18519-58-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CCC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)C |
| InChIKey | FAOLANUNFJKASJ-UHFFFAOYSA-N |
Product Overview
RefChem:378748 (CAS 18519-58-9), with molecular formula C44H42N4O8S2 and molecular weight 818.24 g/mol. IUPAC: bis(4-methylbenzenesulfonate);N-(1-methylquinolin-1-ium-6-yl)-4-[3-[(1-methylquinolin-1-ium-6-yl)amino]-3-oxopropyl]benzamide.
Chemical Property Profile of RefChem:378748
Property Insights of RefChem:378748
The XLogP value of 6.26 indicates that RefChem:378748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:378748 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378748 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:378748?
The CAS number of RefChem:378748 is 18519-58-9.
What is the molecular formula of RefChem:378748?
The molecular formula of RefChem:378748 is C44H42N4O8S2.
What is the molecular weight of RefChem:378748?
The molecular weight of RefChem:378748 is 818.24 g/mol.
Where can I buy RefChem:378748?
You can request a quote for RefChem:378748 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378748?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378748 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.