RefChem:1097902
TL;DR: RefChem:1097902 (CAS 18520-44-0) is a chemical compound with molecular formula C47H50N4O9S2 and molecular weight 878.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-[2-oxo-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide
Also Known As: Quinolinium, 1-propyl-6-(p-(1-propyl-6-quinoliniocarbamoyl)phenoxyacetamido)-, ditosylate, Quinolinium, 1-propyl-6-(alpha-((-propylquinolinium-6-yl)carbamoyyl)-p-anisamido)-, di-p-toluenesulfonate, 1-Propyl-6-(p-(1-propyl-6-quinoliniocarbamoyl)phenoxyacetamido)quinolinium ditosylate, 4-methylbenzenesulfonate; 4-[2-oxo-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide, RefChem:1097902
| Molecular Formula | C47H50N4O9S2 |
|---|---|
| Molecular Weight | 878.30 g/mol |
| LogP | 5.10074 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 878.30194 |
| Heavy Atoms | 62 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 18520-44-0 |
|---|---|
| SMILES | CCCC1(CC=C2C(=C1)C=CC=[NH+]2)NC(=O)COC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | VUBMWAIPFBSDIU-UHFFFAOYSA-N |
Product Overview
RefChem:1097902 (CAS 18520-44-0), with molecular formula C47H50N4O9S2 and molecular weight 878.30 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-[2-oxo-2-[(6-propyl-7H-quinolin-1-ium-6-yl)amino]ethoxy]-N-(1-propylquinolin-1-ium-6-yl)benzamide.
Chemical Property Profile of RefChem:1097902
Property Insights of RefChem:1097902
The XLogP value of 5.10074 indicates that RefChem:1097902 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting RefChem:1097902 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097902 has 3 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:1097902?
The CAS number of RefChem:1097902 is 18520-44-0.
What is the molecular formula of RefChem:1097902?
The molecular formula of RefChem:1097902 is C47H50N4O9S2.
What is the molecular weight of RefChem:1097902?
The molecular weight of RefChem:1097902 is 878.30 g/mol.
Where can I buy RefChem:1097902?
You can request a quote for RefChem:1097902 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097902?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097902 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.