RefChem:378736
TL;DR: RefChem:378736 (CAS 14120-93-5) is a chemical compound with molecular formula C46H46N4O8S2 and molecular weight 846.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-ethylquinolin-1-ium-6-yl)-2-[4-[2-[(1-ethylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 1-ethyl-6-(p-((1-ethylquinolinium-6-yl)carbamoyl)hydrocinnamamido)-, di-p-toluenesulfonate, Quinolinium, 6,6'-(alpha,p-phenethylenebis(carbonylimino))bis(1-ethyl-, ditosylate, 6,6'-(alpha,p-Phenethylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate, Quinolinium, 6,6'-(1,4-phenylenebis(1-oxo-2,1-ethanediyl)imino)bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2), 6,6'-{1,4-Phenylenebis[(1-oxoethane-2,1-diyl)azanediyl]}bis(1-ethylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C46H46N4O8S2 |
|---|---|
| Molecular Weight | 846.28 g/mol |
| LogP | 6.77 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 846.2757 |
| Heavy Atoms | 60 |
| Complexity | 910.0 |
Chemical Identifiers
| CAS Number | 14120-93-5 |
|---|---|
| SMILES | CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)CC(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | OHIMFGPUGASRQY-UHFFFAOYSA-N |
Product Overview
RefChem:378736 (CAS 14120-93-5), with molecular formula C46H46N4O8S2 and molecular weight 846.28 g/mol. IUPAC: N-(1-ethylquinolin-1-ium-6-yl)-2-[4-[2-[(1-ethylquinolin-1-ium-6-yl)amino]-2-oxoethyl]phenyl]acetamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378736
Property Insights of RefChem:378736
The XLogP value of 6.77 indicates that RefChem:378736 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:378736 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378736 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:378736?
The CAS number of RefChem:378736 is 14120-93-5.
What is the molecular formula of RefChem:378736?
The molecular formula of RefChem:378736 is C46H46N4O8S2.
What is the molecular weight of RefChem:378736?
The molecular weight of RefChem:378736 is 846.28 g/mol.
Where can I buy RefChem:378736?
You can request a quote for RefChem:378736 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378736?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378736 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.