RefChem:378742
TL;DR: RefChem:378742 (CAS 23452-72-4) is a chemical compound with molecular formula C52H58N4O8S2 and molecular weight 930.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-N-[4-[(1-hexylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide;bis(4-methylbenzenesulfonate)
Also Known As: 1-Hexyl-6-(p-((1-hexylquinolinium-6-yl)formamido)benzamido)quinolinium di-p-toluenesulfonate, Quinolinium, 1-hexyl-6-(p-((1-hexylquinolinium-6-yl)formamido)benzamido)-, di-p-toluenesulfon, 1-hexyl-6-({4-[(1-hexylquinolinium-6-yl)carbamoyl]phenyl}carbamoyl)quinolinium bis(4-methylbenzenesulfonate), 1-Hexyl-6-({4-[(1-hexylquinolin-1-ium-6-yl)carbamoyl]phenyl}carbamoyl)quinolin-1-ium bis(4-methylbenzene-1-sulfonate), 1-hexyl-N-[4-[(1-hexylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide; 4-methylbenzenesulfonate
| Molecular Formula | C52H58N4O8S2 |
|---|---|
| Molecular Weight | 930.37 g/mol |
| LogP | 10.03144 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 930.3696 |
| Heavy Atoms | 66 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 23452-72-4 |
|---|---|
| SMILES | CCCCCC[N+]1=CC=CC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | FYCPGZWELCDHCT-UHFFFAOYSA-N |
Product Overview
RefChem:378742 (CAS 23452-72-4), with molecular formula C52H58N4O8S2 and molecular weight 930.37 g/mol. IUPAC: 1-hexyl-N-[4-[(1-hexylquinolin-1-ium-6-yl)carbamoyl]phenyl]quinolin-1-ium-6-carboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:378742
Property Insights of RefChem:378742
The XLogP value of 10.03144 indicates that RefChem:378742 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:378742 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:378742 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:378742?
The CAS number of RefChem:378742 is 23452-72-4.
What is the molecular formula of RefChem:378742?
The molecular formula of RefChem:378742 is C52H58N4O8S2.
What is the molecular weight of RefChem:378742?
The molecular weight of RefChem:378742 is 930.37 g/mol.
Where can I buy RefChem:378742?
You can request a quote for RefChem:378742 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378742?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378742 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.