RefChem:378787
TL;DR: RefChem:378787 (CAS 14120-94-6) is a chemical compound with molecular formula C47H49N5O8S2 and molecular weight 875.30225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-N,5-N-bis(1-butylquinolin-1-ium-7-yl)pyridine-2,5-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-butyl-, di-p-toluenesulfonate, Quinolinium, 6,6'-(pyridin-2,5-diylbis(carbonylimino))bis(1-butyl-, ditosylate, 6,6'-(Pyridin-2,5-diylbis(carbonylimino))bis(1-butylquinolinium) ditosylate, 2-N,5-N-bis(1-butylquinolin-1-ium-7-yl)pyridine-2,5-dicarboxamide; 4-methylbenzenesulfonate, 7,7'-[Pyridine-2,5-diylbis(carbonylazanediyl)]bis(1-butylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate)
Technical Specifications
| Molecular Formula | C47H49N5O8S2 |
| Molecular Weight | 875.30225 g/mol |
| XLogP | 7.86604 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 875.30225 Da |
| Heavy Atoms | 62 |
| Complexity | 1020.0 |
| SMILES | CCCC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CN=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CCCC)C=C4.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | FYZLDWSQCPBNPE-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:378787
Property Insights of RefChem:378787
The XLogP value of 7.86604 indicates that RefChem:378787 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 210.0 Ų indicates high polarity, suggesting RefChem:378787 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378787 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:378787?
The CAS number of RefChem:378787 is 14120-94-6.
What is the molecular formula of RefChem:378787?
The molecular formula of RefChem:378787 is C47H49N5O8S2.
What is the molecular weight of RefChem:378787?
The molecular weight of RefChem:378787 is 875.30225 g/mol.
Where can I buy RefChem:378787?
You can request a quote for RefChem:378787 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:378787?
Yes, CoreyChem provides custom synthesis services for RefChem:378787 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.