![2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid structure](/static/products/3247/324779-96-6.webp)
2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid
TL;DR: 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid (CAS 324779-96-6) is a chemical compound with molecular formula C15H13NO2S and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carboxylic acid
Also Known As: 2-(Cinnamylthio)nicotinic acid, 2-(Cinnamylthio)nicotinicacid, 2-{[(2E)-3-PHENYLPROP-2-EN-1-YL]THIO}NICOTINIC ACID, 2-(cinnamylsulfanyl)nicotinic acid, CHEMBRDG-BB 5919697
| Molecular Formula | C15H13NO2S |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 3.5853 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 271.0667 |
| Heavy Atoms | 19 |
| Complexity | 581.7093 |
Chemical Identifiers
| CAS Number | 324779-96-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C/CSC2=C(C=CC=N2)C(=O)O |
Product Overview
2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid (CAS 324779-96-6), with molecular formula C15H13NO2S and molecular weight 271.07 g/mol. IUPAC: 2-[(E)-3-phenylprop-2-enyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid
Property Insights of 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid
The XLogP value of 3.5853 indicates that 2-{[(2E)-3-Phenylprop-2-EN-1-YL]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-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(2E)-3-Phenylprop-2-EN-1-YL]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-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid?
The CAS number of 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid is 324779-96-6.
What is the molecular formula of 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid?
The molecular formula of 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid is C15H13NO2S.
What is the molecular weight of 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid?
The molecular weight of 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid is 271.07 g/mol.
Where can I buy 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid?
You can request a quote for 2-{[(2E)-3-Phenylprop-2-EN-1-YL]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-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(2E)-3-Phenylprop-2-EN-1-YL]thio}nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.