![2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid structure](/static/products/831/831248-23-8.png)
2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid
TL;DR: 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid (CAS 831248-23-8) 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-(1-phenylethyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: 2-{[2,5-dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid, 2-((2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl)thio)nicotinic acid, 2-[2,5-dioxo-1-(phenylethyl)azolidin-3-ylthio]pyridine-3-carboxylic acid, 2-[2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid, 2-{[2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
| Molecular Formula | C18H16N2O4S |
|---|---|
| Molecular Weight | 356.08 g/mol |
| LogP | 2.7606 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.08307 |
| Heavy Atoms | 25 |
| Complexity | 824.8356 |
Chemical Identifiers
| CAS Number | 831248-23-8 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O |
Product Overview
2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid (CAS 831248-23-8), with molecular formula C18H16N2O4S and molecular weight 356.08 g/mol. IUPAC: 2-[2,5-dioxo-1-(1-phenylethyl)pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid
Property Insights of 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid
The XLogP value of 2.7606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]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-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid. Following Lipinski's Rule of Five, 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]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-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid?
The CAS number of 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid is 831248-23-8.
What is the molecular formula of 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid?
The molecular formula of 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid is C18H16N2O4S.
What is the molecular weight of 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid?
The molecular weight of 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid is 356.08 g/mol.
Where can I buy 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid?
You can request a quote for 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]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-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2,5-Dioxo-1-(1-phenylethyl)-3-pyrrolidinyl]thio}nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.