![2-[(4-Fluorobenzyl)thio]nicotinic acid structure](/static/products/4607/460736-49-6.webp)
2-[(4-Fluorobenzyl)thio]nicotinic acid
TL;DR: 2-[(4-Fluorobenzyl)thio]nicotinic acid (CAS 460736-49-6) is a chemical compound with molecular formula C13H10FNO2S and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid
Also Known As: 2-[(4-fluorobenzyl)thio]nicotinic acid, 2-{[(4-fluorophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid, 2-(4-Fluoro-benzylsulfanyl)-nicotinic acid, 2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic Acid, 2-[(p-fluorophenyl)methylthio]nicotinic acid
| Molecular Formula | C13H10FNO2S |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 3.2112 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.04163 |
| Heavy Atoms | 18 |
| Complexity | 557.1726 |
Chemical Identifiers
| CAS Number | 460736-49-6 |
|---|---|
| SMILES | C1=CC(=C(N=C1)SCC2=CC=C(C=C2)F)C(=O)O |
Product Overview
2-[(4-Fluorobenzyl)thio]nicotinic acid (CAS 460736-49-6), with molecular formula C13H10FNO2S and molecular weight 263.04 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(4-Fluorobenzyl)thio]nicotinic acid
Property Insights of 2-[(4-Fluorobenzyl)thio]nicotinic acid
The XLogP value of 3.2112 indicates that 2-[(4-Fluorobenzyl)thio]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, 2-[(4-Fluorobenzyl)thio]nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Fluorobenzyl)thio]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 2-[(4-Fluorobenzyl)thio]nicotinic acid?
The CAS number of 2-[(4-Fluorobenzyl)thio]nicotinic acid is 460736-49-6.
What is the molecular formula of 2-[(4-Fluorobenzyl)thio]nicotinic acid?
The molecular formula of 2-[(4-Fluorobenzyl)thio]nicotinic acid is C13H10FNO2S.
What is the molecular weight of 2-[(4-Fluorobenzyl)thio]nicotinic acid?
The molecular weight of 2-[(4-Fluorobenzyl)thio]nicotinic acid is 263.04 g/mol.
Where can I buy 2-[(4-Fluorobenzyl)thio]nicotinic acid?
You can request a quote for 2-[(4-Fluorobenzyl)thio]nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Fluorobenzyl)thio]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Fluorobenzyl)thio]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.