1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium
TL;DR: 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium (CAS 64794-59-8) is a chemical compound with molecular formula C14H15NO3S and molecular weight 277.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-benzylpyridin-1-ium-2-yl)ethanesulfonate
Also Known As: 1- -2- pyridinium, EINECS 265-238-1, 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium, 2-(1-benzylpyridin-1-ium-2-yl)ethanesulfonate, 1-(Phenylmethyl)-2-(2-sulfonatoethyl)pyridinium
| Molecular Formula | C14H15NO3S |
|---|---|
| Molecular Weight | 277.08 g/mol |
| LogP | 1.1101 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.07727 |
| Heavy Atoms | 19 |
| Complexity | 638.7505 |
Chemical Identifiers
| CAS Number | 64794-59-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC=C2CCS(=O)(=O)[O-] |
Product Overview
1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium (CAS 64794-59-8), with molecular formula C14H15NO3S and molecular weight 277.08 g/mol. IUPAC: 2-(1-benzylpyridin-1-ium-2-yl)ethanesulfonate.
Chemical Property Profile of 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium
Property Insights of 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium
The XLogP value of 1.1101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium. Following Lipinski's Rule of Five, 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium has 0 hydrogen bond donor(s) and 3 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 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium?
The CAS number of 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium is 64794-59-8.
What is the molecular formula of 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium?
The molecular formula of 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium is C14H15NO3S.
What is the molecular weight of 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium?
The molecular weight of 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium is 277.08 g/mol.
Where can I buy 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium?
You can request a quote for 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyl)-2-(2-sulphonatoethyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.