![2-[(2-Phenylethyl)thio]nicotinic acid structure](/static/products/4967/496775-95-2.webp)
2-[(2-Phenylethyl)thio]nicotinic acid
TL;DR: 2-[(2-Phenylethyl)thio]nicotinic acid (CAS 496775-95-2) is a chemical compound with molecular formula C14H13NO2S and molecular weight 259.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylethylsulfanyl)pyridine-3-carboxylic acid
Also Known As: 2-[(2-phenylethyl)thio]nicotinic acid, Revolade, 2-(Phenethylthio)nicotinic acid, 2-(Phenethylthio)nicotinicacid, IFLab1_005547
| Molecular Formula | C14H13NO2S |
|---|---|
| Molecular Weight | 259.07 g/mol |
| LogP | 3.1146 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 259.0667 |
| Heavy Atoms | 18 |
| Complexity | 528.327 |
Chemical Identifiers
| CAS Number | 496775-95-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCSC2=C(C=CC=N2)C(=O)O |
Product Overview
2-[(2-Phenylethyl)thio]nicotinic acid (CAS 496775-95-2), with molecular formula C14H13NO2S and molecular weight 259.07 g/mol. IUPAC: 2-(2-phenylethylsulfanyl)pyridine-3-carboxylic acid.
Chemical Property Profile of 2-[(2-Phenylethyl)thio]nicotinic acid
Property Insights of 2-[(2-Phenylethyl)thio]nicotinic acid
The XLogP value of 3.1146 indicates that 2-[(2-Phenylethyl)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-[(2-Phenylethyl)thio]nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Phenylethyl)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-[(2-Phenylethyl)thio]nicotinic acid?
The CAS number of 2-[(2-Phenylethyl)thio]nicotinic acid is 496775-95-2.
What is the molecular formula of 2-[(2-Phenylethyl)thio]nicotinic acid?
The molecular formula of 2-[(2-Phenylethyl)thio]nicotinic acid is C14H13NO2S.
What is the molecular weight of 2-[(2-Phenylethyl)thio]nicotinic acid?
The molecular weight of 2-[(2-Phenylethyl)thio]nicotinic acid is 259.07 g/mol.
Where can I buy 2-[(2-Phenylethyl)thio]nicotinic acid?
You can request a quote for 2-[(2-Phenylethyl)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-[(2-Phenylethyl)thio]nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Phenylethyl)thio]nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.