RefChem:378785
TL;DR: RefChem:378785 (CAS 18519-50-1) is a chemical compound with molecular formula C50H55N5O8S2 and molecular weight 917.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-N,4-N-bis(1-pentylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6,6'-((2-aminoterephthaloyl)diimino)bis(1-pentyl-, di-p-toluenesulfonate, 6,6'-((2-Aminoterephthaloyl)diimino)bis(1-pentylquinolinium) di-p-toluenesulfonate, 6,6'-(2-Amino-1,4-phenylenebis(carbonylimino))bis(1-pentylquinolinium) ditosylate, 2-amino-1-N,4-N-bis(1-pentylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 6,6'-[(2-Amino-1,4-phenylene)bis(carbonylazanediyl)]bis(1-pentylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C50H55N5O8S2 |
|---|---|
| Molecular Weight | 917.35 g/mol |
| LogP | 8.83344 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 917.3492 |
| Heavy Atoms | 65 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 18519-50-1 |
|---|---|
| SMILES | CCCCC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCCC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | XLVSHTSASGLVRK-UHFFFAOYSA-N |
Product Overview
RefChem:378785 (CAS 18519-50-1), with molecular formula C50H55N5O8S2 and molecular weight 917.35 g/mol. IUPAC: 2-amino-1-N,4-N-bis(1-pentylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378785
Property Insights of RefChem:378785
The XLogP value of 8.83344 indicates that RefChem:378785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.0 Ų indicates high polarity, suggesting RefChem:378785 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378785 has 3 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:378785?
The CAS number of RefChem:378785 is 18519-50-1.
What is the molecular formula of RefChem:378785?
The molecular formula of RefChem:378785 is C50H55N5O8S2.
What is the molecular weight of RefChem:378785?
The molecular weight of RefChem:378785 is 917.35 g/mol.
Where can I buy RefChem:378785?
You can request a quote for RefChem:378785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.