RefChem:377221
TL;DR: RefChem:377221 (CAS 18520-56-4) is a chemical compound with molecular formula C46H42N4O8S2 and molecular weight 842.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,4-N-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-methyl-, di-p-toluenesulfonate, 4,4'-(Terephthaloylbis(imino-p-phenylene))bis(1-methylpyridinium)di-p-toluenesulfonate, 1-N,4-N-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate, 4,4'-[1,4-Phenylenebis(carbonylazanediyl-4,1-phenylene)]bis(1-methylpyridin-1-ium) bis(4-methylbenzene-1-sulfonate), RefChem:377221
| Molecular Formula | C46H42N4O8S2 |
|---|---|
| Molecular Weight | 842.24 g/mol |
| LogP | 6.97244 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 842.2444 |
| Heavy Atoms | 60 |
| Complexity | 878.0 |
Chemical Identifiers
| CAS Number | 18520-56-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=CC=[N+](C=C5)C |
| InChIKey | XQSPIEJJYZGUTM-UHFFFAOYSA-N |
Product Overview
RefChem:377221 (CAS 18520-56-4), with molecular formula C46H42N4O8S2 and molecular weight 842.24 g/mol. IUPAC: 1-N,4-N-bis[4-(1-methylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:377221
Property Insights of RefChem:377221
The XLogP value of 6.97244 indicates that RefChem:377221 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:377221 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:377221 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:377221?
The CAS number of RefChem:377221 is 18520-56-4.
What is the molecular formula of RefChem:377221?
The molecular formula of RefChem:377221 is C46H42N4O8S2.
What is the molecular weight of RefChem:377221?
The molecular weight of RefChem:377221 is 842.24 g/mol.
Where can I buy RefChem:377221?
You can request a quote for RefChem:377221 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:377221?
Yes, KEHONG BIO provides custom synthesis services for RefChem:377221 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.