2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid (CAS 830344-72-4) is a chemical compound with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: 2-((2,5-dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid, AB00368055-02, F3023-0294, 2-{[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid, 2-(2,5-dioxo-1-phenethylpyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 2.2421 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 809.73315 |
Chemical Identifiers
| CAS Number | 830344-72-4 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)CCC2=CC=CC=C2)SC3=C(C=CC=N3)C(=O)O |
Product Overview
2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid (CAS 830344-72-4), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: 2-[2,5-dioxo-1-(2-phenylethyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 2.2421 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid has 1 hydrogen bond donor(s) and 5 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-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid is 830344-72-4.
What is the molecular formula of 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid is C18H16N2O4S.
What is the molecular weight of 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid is 356.08 g/mol.
Where can I buy 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-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-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,5-Dioxo-1-phenethylpyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.