![2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate structure](/static/products/3481/3481-80-9.webp)
2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate
TL;DR: 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate (CAS 3481-80-9) is a chemical compound with molecular formula C20H17NO4S and molecular weight 367.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate
Also Known As: 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate, 2-[[6-(2-phenylacetyl)pyridin-1-yl]methyl]benzenesulfonate, 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfo, 2-{[2-(Phenylacetyl)pyridin-1-ium-1-yl]methyl}benzene-1-sulfonate
| Molecular Formula | C20H17NO4S |
|---|---|
| Molecular Weight | 367.09 g/mol |
| LogP | 2.3519 |
| Topological Polar Surface Area | 78.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 367.08783 |
| Heavy Atoms | 26 |
| Complexity | 1030.4415 |
Chemical Identifiers
| CAS Number | 3481-80-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C2=CC=CC=[N+]2CC3=CC=CC=C3S(=O)(=O)[O-] |
Product Overview
2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate (CAS 3481-80-9), with molecular formula C20H17NO4S and molecular weight 367.09 g/mol. IUPAC: 2-[[2-(2-phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate.
Chemical Property Profile of 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate
Property Insights of 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate
The XLogP value of 2.3519 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate. The TPSA of 78.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate. Following Lipinski's Rule of Five, 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate has 0 hydrogen bond donor(s) and 4 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 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate?
The CAS number of 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate is 3481-80-9.
What is the molecular formula of 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate?
The molecular formula of 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate is C20H17NO4S.
What is the molecular weight of 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate?
The molecular weight of 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate is 367.09 g/mol.
Where can I buy 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate?
You can request a quote for 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-(2-Phenylacetyl)pyridin-1-ium-1-yl]methyl]benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.