RefChem:378738
TL;DR: RefChem:378738 (CAS 18355-54-9) is a chemical compound with molecular formula C51H49N5O9S2+2 and molecular weight 939.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-N-(1-ethylquinolin-1-ium-7-yl)-1-N-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonic acid)
Also Known As: Quinolinium, 1-ethyl-7-(p-(p-((1-ethylquinolinium-7-yl)carbamoyl)benzamido)benzamido)-, di-p-toluenesulfonate, 4-N-(1-ethylquinolin-1-ium-7-yl)-1-N-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid, Quinolinium, 1-ethyl-7-[[4-[[4-[[(1-ethylquinolinium-7-yl)amino]carbonyl]benzoyl]amino]benzoyl]amino]-, salt with 4-methylbenzenesulfonic acid (1:2), RefChem:378738
| Molecular Formula | C51H49N5O9S2+2 |
|---|---|
| Molecular Weight | 939.30 g/mol |
| LogP | 8.84814 |
| Topological Polar Surface Area | 221.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 939.2972 |
| Heavy Atoms | 67 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 18355-54-9 |
|---|---|
| SMILES | CC[N+]1=CC=CC2=C1C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=CC6=C(C=CC=[N+]6CC)C=C5.CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O |
| InChIKey | XIVGWOBUURGLNW-UHFFFAOYSA-P |
Product Overview
RefChem:378738 (CAS 18355-54-9), with molecular formula C51H49N5O9S2+2 and molecular weight 939.30 g/mol. IUPAC: 4-N-(1-ethylquinolin-1-ium-7-yl)-1-N-[4-[(1-ethylquinolin-1-ium-7-yl)carbamoyl]phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonic acid).
Chemical Property Profile of RefChem:378738
Property Insights of RefChem:378738
The XLogP value of 8.84814 indicates that RefChem:378738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 221.0 Ų indicates high polarity, suggesting RefChem:378738 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378738 has 5 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:378738?
The CAS number of RefChem:378738 is 18355-54-9.
What is the molecular formula of RefChem:378738?
The molecular formula of RefChem:378738 is C51H49N5O9S2+2.
What is the molecular weight of RefChem:378738?
The molecular weight of RefChem:378738 is 939.30 g/mol.
Where can I buy RefChem:378738?
You can request a quote for RefChem:378738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378738?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.