6-(Benzylsulfanyl)nicotinic acid
TL;DR: 6-(Benzylsulfanyl)nicotinic acid (CAS 353281-45-5) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanylpyridine-3-carboxylic acid
Also Known As: 6-(benzylsulfanyl)nicotinic acid, 6-benzylsulfanylpyridine-3-carboxylic acid, AJ-333/36116053
| Molecular Formula | C13H11NO2S |
|---|---|
| Molecular Weight | 245.05 g/mol |
| LogP | 3.0721 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.05106 |
| Heavy Atoms | 17 |
| Complexity | 496.58774 |
Chemical Identifiers
| CAS Number | 353281-45-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C=C2)C(=O)O |
Product Overview
6-(Benzylsulfanyl)nicotinic acid (CAS 353281-45-5), with molecular formula C13H11NO2S and molecular weight 245.05 g/mol. IUPAC: 6-benzylsulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 6-(Benzylsulfanyl)nicotinic acid
Property Insights of 6-(Benzylsulfanyl)nicotinic acid
The XLogP value of 3.0721 indicates that 6-(Benzylsulfanyl)nicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 6-(Benzylsulfanyl)nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(Benzylsulfanyl)nicotinic acid has 1 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 6-(Benzylsulfanyl)nicotinic acid?
The CAS number of 6-(Benzylsulfanyl)nicotinic acid is 353281-45-5.
What is the molecular formula of 6-(Benzylsulfanyl)nicotinic acid?
The molecular formula of 6-(Benzylsulfanyl)nicotinic acid is C13H11NO2S.
What is the molecular weight of 6-(Benzylsulfanyl)nicotinic acid?
The molecular weight of 6-(Benzylsulfanyl)nicotinic acid is 245.05 g/mol.
Where can I buy 6-(Benzylsulfanyl)nicotinic acid?
You can request a quote for 6-(Benzylsulfanyl)nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylsulfanyl)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylsulfanyl)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.