1-Benzylpyridinium 3-sulfonate
TL;DR: 1-Benzylpyridinium 3-sulfonate (CAS 69723-94-0) is a chemical compound with molecular formula C12H11NO3S and molecular weight 249.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylpyridin-1-ium-3-sulfonate
Also Known As: 1-benzylpyridinium 3-sulfonate, 1-benzylpyridin-1-ium-3-sulfonate, 1-(Benzyl)-3-sulphonatopyridinium, EINECS 274-098-0, 1- -3-sulphonatopyridinium
| Molecular Formula | C12H11NO3S |
|---|---|
| Molecular Weight | 249.05 g/mol |
| LogP | 0.9265 |
| Topological Polar Surface Area | 61.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.04596 |
| Heavy Atoms | 17 |
| Complexity | 608.6577 |
Chemical Identifiers
| CAS Number | 69723-94-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)S(=O)(=O)[O-] |
Product Overview
1-Benzylpyridinium 3-sulfonate (CAS 69723-94-0), with molecular formula C12H11NO3S and molecular weight 249.05 g/mol. IUPAC: 1-benzylpyridin-1-ium-3-sulfonate.
Chemical Property Profile of 1-Benzylpyridinium 3-sulfonate
Property Insights of 1-Benzylpyridinium 3-sulfonate
The XLogP value of 0.9265 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylpyridinium 3-sulfonate. The TPSA of 61.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzylpyridinium 3-sulfonate. Following Lipinski's Rule of Five, 1-Benzylpyridinium 3-sulfonate 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-Benzylpyridinium 3-sulfonate?
The CAS number of 1-Benzylpyridinium 3-sulfonate is 69723-94-0.
What is the molecular formula of 1-Benzylpyridinium 3-sulfonate?
The molecular formula of 1-Benzylpyridinium 3-sulfonate is C12H11NO3S.
What is the molecular weight of 1-Benzylpyridinium 3-sulfonate?
The molecular weight of 1-Benzylpyridinium 3-sulfonate is 249.05 g/mol.
Where can I buy 1-Benzylpyridinium 3-sulfonate?
You can request a quote for 1-Benzylpyridinium 3-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzylpyridinium 3-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylpyridinium 3-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.