![4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium structure](/static/products/5916/59168-27-3.webp)
4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium
TL;DR: 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium (CAS 59168-27-3) is a chemical compound with molecular formula C14H14N2O6S and molecular weight 338.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl sulfate
Also Known As: 4-(4-nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium, 2-{4-[(4-nitrophenyl)methyl]pyridyl}ethyl hydroxysulfonate, 2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl sulfate, 4-(4-nitrobenzyl)-1-[2-(sulfonatooxy)ethyl]pyridinium, 4-[(4-nitrophenyl)methyl]-1-(2-sulfonatooxyethyl)pyridine
| Molecular Formula | C14H14N2O6S |
|---|---|
| Molecular Weight | 338.06 g/mol |
| LogP | 0.9499 |
| Topological Polar Surface Area | 113.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 338.05725 |
| Heavy Atoms | 23 |
| Complexity | 771.91974 |
Chemical Identifiers
| CAS Number | 59168-27-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=CC=[N+](C=C2)CCOS(=O)(=O)[O-])[N+](=O)[O-] |
Product Overview
4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium (CAS 59168-27-3), with molecular formula C14H14N2O6S and molecular weight 338.06 g/mol. IUPAC: 2-[4-[(4-nitrophenyl)methyl]pyridin-1-ium-1-yl]ethyl sulfate.
Chemical Property Profile of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium
Property Insights of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium
The XLogP value of 0.9499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium. The TPSA of 113.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium. Following Lipinski's Rule of Five, 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium?
The CAS number of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium is 59168-27-3.
What is the molecular formula of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium?
The molecular formula of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium is C14H14N2O6S.
What is the molecular weight of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium?
The molecular weight of 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium is 338.06 g/mol.
Where can I buy 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium?
You can request a quote for 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Nitrobenzyl)-1-[2-(sulphonatooxy)ethyl]pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.