RefChem:1097890
TL;DR: RefChem:1097890 (CAS 18520-38-2) is a chemical compound with molecular formula C50H52N4O8S2 and molecular weight 900.32 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-[(E)-3-[(1-butylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 1-butyl-6-(p-((1-butylquinolinium-6-yl)carbamoyl)cinnamamido)-, di-p-toluenesulfonate, Quinolinium, 6,6'-(styrene-alpha,p-diylbis(carbonylimino))bis(1-butyl-, ditosylate, 6,6'-(Styrene-alpha,p-diylbis(carbonylimino))bis(1-butylquinolinium) ditosylate, N-(1-butylquinolin-1-ium-6-yl)-4-[(E)-3-[(1-butylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide; 4-methylbenzenesulfonate, RefChem:1097890
| Molecular Formula | C50H52N4O8S2 |
|---|---|
| Molecular Weight | 900.32 g/mol |
| LogP | 8.87064 |
| Topological Polar Surface Area | 180.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 900.32263 |
| Heavy Atoms | 64 |
| Complexity | 2882.3828 |
Chemical Identifiers
| CAS Number | 18520-38-2 |
|---|---|
| SMILES | CCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)/C=C/C3=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-] |
Product Overview
RefChem:1097890 (CAS 18520-38-2), with molecular formula C50H52N4O8S2 and molecular weight 900.32 g/mol. IUPAC: N-(1-butylquinolin-1-ium-6-yl)-4-[(E)-3-[(1-butylquinolin-1-ium-6-yl)amino]-3-oxoprop-1-enyl]benzamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:1097890
Property Insights of RefChem:1097890
The XLogP value of 8.87064 indicates that RefChem:1097890 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.36 Ų indicates high polarity, suggesting RefChem:1097890 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097890 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:1097890?
The CAS number of RefChem:1097890 is 18520-38-2.
What is the molecular formula of RefChem:1097890?
The molecular formula of RefChem:1097890 is C50H52N4O8S2.
What is the molecular weight of RefChem:1097890?
The molecular weight of RefChem:1097890 is 900.32 g/mol.
Where can I buy RefChem:1097890?
You can request a quote for RefChem:1097890 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097890?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097890 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.