RefChem:1097454
TL;DR: RefChem:1097454 (CAS 14101-73-6) is a chemical compound with molecular formula C48H46N4O8S2 and molecular weight 870.28 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-ethylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate)
Also Known As: Pyridinium, 4,4'-(terephthaloylbis(imino-p-phenylene))bis(1-ethyl-, di-p-toluenesulfonate, 4,4'-(Terephthaloylbis(imino-p-phenylene))bis(1-ethylpyridinium) di-p-toluenesulfonate, 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]benzene-1,4-, Pyridinium, 4,4'-(1,4-phenylenebis(carbonylimino-4,1-phenylene))bis(1-ethyl-, salt with 4-methylbenzenesulfonic acid (1:2), 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
| Molecular Formula | C48H46N4O8S2 |
|---|---|
| Molecular Weight | 870.28 g/mol |
| LogP | 7.93824 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 870.2757 |
| Heavy Atoms | 62 |
| Complexity | 907.0 |
Chemical Identifiers
| CAS Number | 14101-73-6 |
|---|---|
| SMILES | CC[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)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| InChIKey | IQIIRUQHJAGXKM-UHFFFAOYSA-N |
Product Overview
RefChem:1097454 (CAS 14101-73-6), with molecular formula C48H46N4O8S2 and molecular weight 870.28 g/mol. IUPAC: 1-N,4-N-bis[4-(1-ethylpyridin-1-ium-4-yl)phenyl]benzene-1,4-dicarboxamide;bis(4-methylbenzenesulfonate).
Chemical Property Profile of RefChem:1097454
Property Insights of RefChem:1097454
The XLogP value of 7.93824 indicates that RefChem:1097454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:1097454 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1097454 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:1097454?
The CAS number of RefChem:1097454 is 14101-73-6.
What is the molecular formula of RefChem:1097454?
The molecular formula of RefChem:1097454 is C48H46N4O8S2.
What is the molecular weight of RefChem:1097454?
The molecular weight of RefChem:1097454 is 870.28 g/mol.
Where can I buy RefChem:1097454?
You can request a quote for RefChem:1097454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1097454?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1097454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.