RefChem:378784
TL;DR: RefChem:378784 (CAS 18519-47-6) is a chemical compound with molecular formula C44H43N5O8S2 and molecular weight 833.26 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-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Quinolinium, 6,6'-((2-aminoterephthaloyl)diimino)bis(1-ethyl-, di-p-toluenesulfonate, 6,6'-((2-Aminoterephthaloyl)diimino)bis(1-ethylquinolinium) di-p-toluenesulfonate, 6,6'-(2-Amino-1,4-phenylenebis(carbonylimino))bis(1-ethylquinolinium) ditosylate, 2-amino-1-N,4-N-bis(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 6,6'-[(2-Amino-1,4-phenylene)bis(carbonylazanediyl)]bis(1-ethylquinolin-1-ium) bis(4-methylbenzene-1-sulfonate)
| Molecular Formula | C44H43N5O8S2 |
|---|---|
| Molecular Weight | 833.26 g/mol |
| LogP | 6.49284 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 833.2553 |
| Heavy Atoms | 59 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 18519-47-6 |
|---|---|
| SMILES | CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | GEKHEXKEXAVPFP-UHFFFAOYSA-N |
Product Overview
RefChem:378784 (CAS 18519-47-6), with molecular formula C44H43N5O8S2 and molecular weight 833.26 g/mol. IUPAC: 2-amino-1-N,4-N-bis(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378784
Property Insights of RefChem:378784
The XLogP value of 6.49284 indicates that RefChem:378784 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.0 Ų indicates high polarity, suggesting RefChem:378784 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378784 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:378784?
The CAS number of RefChem:378784 is 18519-47-6.
What is the molecular formula of RefChem:378784?
The molecular formula of RefChem:378784 is C44H43N5O8S2.
What is the molecular weight of RefChem:378784?
The molecular weight of RefChem:378784 is 833.26 g/mol.
Where can I buy RefChem:378784?
You can request a quote for RefChem:378784 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378784?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378784 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.