RefChem:378791
TL;DR: RefChem:378791 (CAS 18519-67-0) is a chemical compound with molecular formula C45H45N5O8S2 and molecular weight 847.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,5-N-bis(1-propylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-propyl-, di-p-toluenesulfonate, Quinolinium, 6,6'-(pyridin-2,5-diylbis(carbonylimino))bis(1-propyl-, ditosylate, 6,6'-(Pyridin-2,5-diylbis(carbonylimino))bis(1-propylquinolinium) ditosylate, 2-N,5-N-bis(1-propylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate, 6,6'-[Pyridine-2,5-diylbis(carbonylazanediyl)]bis(1-propylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C45H45N5O8S2 |
|---|---|
| Molecular Weight | 847.27 g/mol |
| LogP | 7.08584 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 847.27094 |
| Heavy Atoms | 60 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 18519-67-0 |
|---|---|
| SMILES | CCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CN=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 | XCLUPZQYGBBLPQ-UHFFFAOYSA-N |
Product Overview
RefChem:378791 (CAS 18519-67-0), with molecular formula C45H45N5O8S2 and molecular weight 847.27 g/mol. IUPAC: 2-N,5-N-bis(1-propylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378791
Property Insights of RefChem:378791
The XLogP value of 7.08584 indicates that RefChem:378791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting RefChem:378791 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378791 has 2 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:378791?
The CAS number of RefChem:378791 is 18519-67-0.
What is the molecular formula of RefChem:378791?
The molecular formula of RefChem:378791 is C45H45N5O8S2.
What is the molecular weight of RefChem:378791?
The molecular weight of RefChem:378791 is 847.27 g/mol.
Where can I buy RefChem:378791?
You can request a quote for RefChem:378791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378791?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.