RefChem:378800
TL;DR: RefChem:378800 (CAS 14120-90-2) is a chemical compound with molecular formula C46H46N4O10S2 and molecular weight 878.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[1-(2-methoxyethyl)quinolin-1-ium-7-yl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6,6'-(terephthaloyldiimino)bis(1-(2-methoxyethyl)-, di-p-toluenesulfonate, Quinolinium, 6,6'-(p-phenylenebis(carbonylimino))bis(1-2-methoxyethyl)-, ditosylate, 6,6'-(p-Phenylenebis(carbonylimino))bis(1-(2-methoxyethyl)quinolinium) ditosylate, 1-N,4-N-bis[1-(2-methoxyethyl)quinolin-1-ium-7-yl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 7,7'-[1,4-Phenylenebis(carbonylazanediyl)]bis[1-(2-methoxyethyl)quinolin-1-ium] bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C46H46N4O10S2 |
|---|---|
| Molecular Weight | 878.27 g/mol |
| LogP | 6.16364 |
| Topological Polar Surface Area | 216.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 878.26556 |
| Heavy Atoms | 62 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 14120-90-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].COCC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=CC=[N+]5CCOC)C=C4 |
| InChIKey | RNPCZXURXCUREB-UHFFFAOYSA-N |
Product Overview
RefChem:378800 (CAS 14120-90-2), with molecular formula C46H46N4O10S2 and molecular weight 878.27 g/mol. IUPAC: 1-N,4-N-bis[1-(2-methoxyethyl)quinolin-1-ium-7-yl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378800
Property Insights of RefChem:378800
The XLogP value of 6.16364 indicates that RefChem:378800 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 216.0 Ų indicates high polarity, suggesting RefChem:378800 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378800 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378800?
The CAS number of RefChem:378800 is 14120-90-2.
What is the molecular formula of RefChem:378800?
The molecular formula of RefChem:378800 is C46H46N4O10S2.
What is the molecular weight of RefChem:378800?
The molecular weight of RefChem:378800 is 878.27 g/mol.
Where can I buy RefChem:378800?
You can request a quote for RefChem:378800 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378800?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378800 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.