4-(Benzylsulfanyl)pyridine-3-sulfonic acid
TL;DR: 4-(Benzylsulfanyl)pyridine-3-sulfonic acid (CAS 887577-77-7) is a chemical compound with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanylpyridine-3-sulfonic acid
Also Known As: 4-(benzylsulfanyl)pyridine-3-sulfonic acid, 4-benzylsulfanylpyridine-3-sulfonic acid, 4-(Benzylthio)pyridine-3-sulfonic acid, AJ-333/25006260
| Molecular Formula | C12H11NO3S2 |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 2.6206 |
| Topological Polar Surface Area | 67.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.01804 |
| Heavy Atoms | 18 |
| Complexity | 626.7806 |
Chemical Identifiers
| CAS Number | 887577-77-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=C(C=NC=C2)S(=O)(=O)O |
Product Overview
4-(Benzylsulfanyl)pyridine-3-sulfonic acid (CAS 887577-77-7), with molecular formula C12H11NO3S2 and molecular weight 281.02 g/mol. IUPAC: 4-benzylsulfanylpyridine-3-sulfonic acid.
Chemical Property Profile of 4-(Benzylsulfanyl)pyridine-3-sulfonic acid
Property Insights of 4-(Benzylsulfanyl)pyridine-3-sulfonic acid
The XLogP value of 2.6206 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzylsulfanyl)pyridine-3-sulfonic acid. The TPSA of 67.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzylsulfanyl)pyridine-3-sulfonic acid. Following Lipinski's Rule of Five, 4-(Benzylsulfanyl)pyridine-3-sulfonic acid has 1 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 4-(Benzylsulfanyl)pyridine-3-sulfonic acid?
The CAS number of 4-(Benzylsulfanyl)pyridine-3-sulfonic acid is 887577-77-7.
What is the molecular formula of 4-(Benzylsulfanyl)pyridine-3-sulfonic acid?
The molecular formula of 4-(Benzylsulfanyl)pyridine-3-sulfonic acid is C12H11NO3S2.
What is the molecular weight of 4-(Benzylsulfanyl)pyridine-3-sulfonic acid?
The molecular weight of 4-(Benzylsulfanyl)pyridine-3-sulfonic acid is 281.02 g/mol.
Where can I buy 4-(Benzylsulfanyl)pyridine-3-sulfonic acid?
You can request a quote for 4-(Benzylsulfanyl)pyridine-3-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylsulfanyl)pyridine-3-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylsulfanyl)pyridine-3-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.