RefChem:378790
TL;DR: RefChem:378790 (CAS 18519-69-2) is a chemical compound with molecular formula C49H53N5O8S2 and molecular weight 903.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-N,5-N-bis(1-pentylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-pentyl-, di-p-toluenesulfonate, Quinolinium, 6,6'-(pyridin-2,5-diylbis(carbonylimino))bis(1-pentyl-, ditosylate, 6,6'-(Pyridin-2,5-diylbis(carbonylimino))bis(1-pentylquinolinium) ditosylate, 2-N,5-N-bis(1-pentylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate, 6,6'-[Pyridine-2,5-diylbis(carbonylazanediyl)]bis(1-pentylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C49H53N5O8S2 |
|---|---|
| Molecular Weight | 903.33 g/mol |
| LogP | 8.64624 |
| Topological Polar Surface Area | 210.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 903.33356 |
| Heavy Atoms | 64 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 18519-69-2 |
|---|---|
| SMILES | CCCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CN=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | HQWMKSXAZDCEIH-UHFFFAOYSA-N |
Product Overview
RefChem:378790 (CAS 18519-69-2), with molecular formula C49H53N5O8S2 and molecular weight 903.33 g/mol. IUPAC: 2-N,5-N-bis(1-pentylquinolin-1-ium-6-yl)pyridine-2,5-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378790
Property Insights of RefChem:378790
The XLogP value of 8.64624 indicates that RefChem:378790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting RefChem:378790 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378790 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:378790?
The CAS number of RefChem:378790 is 18519-69-2.
What is the molecular formula of RefChem:378790?
The molecular formula of RefChem:378790 is C49H53N5O8S2.
What is the molecular weight of RefChem:378790?
The molecular weight of RefChem:378790 is 903.33 g/mol.
Where can I buy RefChem:378790?
You can request a quote for RefChem:378790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378790?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.