RefChem:378796
TL;DR: RefChem:378796 (CAS 18519-63-6) is a chemical compound with molecular formula C50H54N4O8S2 and molecular weight 902.34 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)-2-[4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6,6'-(p-phenylenebis(methylenecarbonylimino))bis(1-butyl-, di-p-toluenesulfonate, Quinolinium, 6,6'-(p-phenylenebis(methylenecarbonylimino))bis(1-butyl-, ditosylate, 6,6'-(p-Phenylenebis(methylenecarbonylimino))bis(1-butylquinolinium) ditosylate, 6,6'-{1,4-Phenylenebis[(1-oxoethane-2,1-diyl)azanediyl]}bis(1-butylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate), N-(1-butylquinolin-1-ium-6-yl)-2-[4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide; 4-methylbenzenesulfonate
| Molecular Formula | C50H54N4O8S2 |
|---|---|
| Molecular Weight | 902.34 g/mol |
| LogP | 8.32884 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 902.3383 |
| Heavy Atoms | 64 |
| Complexity | 967.0 |
Chemical Identifiers
| CAS Number | 18519-63-6 |
|---|---|
| SMILES | CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)CC(=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 | FWQHFLFKNDAMFG-UHFFFAOYSA-N |
Product Overview
RefChem:378796 (CAS 18519-63-6), with molecular formula C50H54N4O8S2 and molecular weight 902.34 g/mol. IUPAC: N-(1-butylquinolin-1-ium-6-yl)-2-[4-[2-[(1-butylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378796
Property Insights of RefChem:378796
The XLogP value of 8.32884 indicates that RefChem:378796 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:378796 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378796 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:378796?
The CAS number of RefChem:378796 is 18519-63-6.
What is the molecular formula of RefChem:378796?
The molecular formula of RefChem:378796 is C50H54N4O8S2.
What is the molecular weight of RefChem:378796?
The molecular weight of RefChem:378796 is 902.34 g/mol.
Where can I buy RefChem:378796?
You can request a quote for RefChem:378796 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378796?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378796 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.