RefChem:1097903
TL;DR: RefChem:1097903 (CAS 14242-18-3) is a chemical compound with molecular formula C48H48N4O8S2 and molecular weight 872.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(4-methylbenzenesulfonate);4-[(E)-3-oxo-3-[(1-propylquinolin-1-ium-7-yl)amino]prop-1-enyl]-N-(1-propylquinolin-1-ium-7-yl)benzamide
Also Known As: Quinolinium, 1-propyl-6-(p-((1-propylquinolinium-6-yl)carbamoyl)cinnamamido)-, di-p-toluenesulfonate, Quinolinium, 6,6'-(styrene-alpha,p-diylbis(carbonylimino))bis(1-propyl-, ditosylate, 6,6'-(Styrene-alpha,p-diylbis(carbonylimino))bis(1-propylquinolinium)ditosylate, 4-methylbenzenesulfonate; 4-[(E)-3-oxo-3-[(1-propylquinolin-1-ium-7-yl)amino]prop-1-enyl]-N-(1-propylquinolin-1-ium-7-yl)benzamide, RefChem:1097903
| Molecular Formula | C48H48N4O8S2 |
|---|---|
| Molecular Weight | 872.29 g/mol |
| LogP | 8.09044 |
| Topological Polar Surface Area | 180.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 872.2914 |
| Heavy Atoms | 62 |
| Complexity | 2845.2397 |
Chemical Identifiers
| CAS Number | 14242-18-3 |
|---|---|
| SMILES | CCC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)/C=C/C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CCC)C=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
Product Overview
RefChem:1097903 (CAS 14242-18-3), with molecular formula C48H48N4O8S2 and molecular weight 872.29 g/mol. IUPAC: bis(4-methylbenzenesulfonate);4-[(E)-3-oxo-3-[(1-propylquinolin-1-ium-7-yl)amino]prop-1-enyl]-N-(1-propylquinolin-1-ium-7-yl)benzamide.
Chemical Property Profile of RefChem:1097903
Property Insights of RefChem:1097903
The XLogP value of 8.09044 indicates that RefChem:1097903 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 180.36 Ų indicates high polarity, suggesting RefChem:1097903 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097903 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:1097903?
The CAS number of RefChem:1097903 is 14242-18-3.
What is the molecular formula of RefChem:1097903?
The molecular formula of RefChem:1097903 is C48H48N4O8S2.
What is the molecular weight of RefChem:1097903?
The molecular weight of RefChem:1097903 is 872.29 g/mol.
Where can I buy RefChem:1097903?
You can request a quote for RefChem:1097903 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097903?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097903 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.