![2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid structure](/static/products/3878/387882-04-4.webp)
2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid
TL;DR: 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid (CAS 387882-04-4) is a chemical compound with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridine-3-carboxylic acid
Also Known As: ChemDiv1_015263, 1-ethyl-3-methoxy-5-methylbenzene, 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid, 2-((2-Oxo-2-(phenethylamino)ethyl)thio)nicotinic acid, 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxylic acid
| Molecular Formula | C16H16N2O3S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.2308 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.08817 |
| Heavy Atoms | 22 |
| Complexity | 646.849 |
Chemical Identifiers
| CAS Number | 387882-04-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CSC2=C(C=CC=N2)C(=O)O |
Product Overview
2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid (CAS 387882-04-4), with molecular formula C16H16N2O3S and molecular weight 316.09 g/mol. IUPAC: 2-[2-oxo-2-(2-phenylethylamino)ethyl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid
Property Insights of 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid
The XLogP value of 2.2308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid. Following Lipinski's Rule of Five, 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid has 2 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 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid?
The CAS number of 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid is 387882-04-4.
What is the molecular formula of 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid?
The molecular formula of 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid is C16H16N2O3S.
What is the molecular weight of 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid?
The molecular weight of 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid is 316.09 g/mol.
Where can I buy 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid?
You can request a quote for 2-[[2-Oxo-2-(phenethylamino)ethyl]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-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[2-Oxo-2-(phenethylamino)ethyl]thio]nicotinic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.