RefChem:378724
TL;DR: RefChem:378724 (CAS 18520-45-1) is a chemical compound with molecular formula C49H52N4O9S2 and molecular weight 904.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-butylquinolin-1-ium-6-yl)-4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethoxy]benzamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 1-butyl-6-(alpha-((1-butylquinolinium-6-yl)carbamoyl)-p-anisamido)-, di-p-toluenesulfonate, 1-Butyl-6-(4-{2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethoxy}benzamido)quinolin-1-ium bis(4-methylbenzene-1-sulfonate), N-(1-butylquinolin-1-ium-6-yl)-4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethoxy]benzamide; 4-methylbenzenesulfonate, Quinolinium, 1-butyl-6-[[[4-[[(1-butylquinolinium-6-yl)amino]carbonyl]phenoxy]acetyl]amino]-, salt with 4-methylbenzenesulfonic acid (1:2), RefChem:378724
| Molecular Formula | C49H52N4O9S2 |
|---|---|
| Molecular Weight | 904.32 g/mol |
| LogP | 8.23624 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 904.31757 |
| Heavy Atoms | 64 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 18520-45-1 |
|---|---|
| SMILES | CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | JTWHAKHOQZWYSX-UHFFFAOYSA-N |
Product Overview
RefChem:378724 (CAS 18520-45-1), with molecular formula C49H52N4O9S2 and molecular weight 904.32 g/mol. IUPAC: N-(1-butylquinolin-1-ium-6-yl)-4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethoxy]benzamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378724
Property Insights of RefChem:378724
The XLogP value of 8.23624 indicates that RefChem:378724 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting RefChem:378724 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378724 has 2 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 RefChem:378724?
The CAS number of RefChem:378724 is 18520-45-1.
What is the molecular formula of RefChem:378724?
The molecular formula of RefChem:378724 is C49H52N4O9S2.
What is the molecular weight of RefChem:378724?
The molecular weight of RefChem:378724 is 904.32 g/mol.
Where can I buy RefChem:378724?
You can request a quote for RefChem:378724 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378724?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378724 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.