2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 831188-53-5) is a chemical compound with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: VU0507606-1, 2-((1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, 2-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid, 2-{[1-(2-ETHOXYPHENYL)-2,5-DIOXOPYRROLIDIN-3-YL]SULFANYL}PYRIDINE-3-CARBOXYLIC ACID, 2-{[1-(2-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio}nicotinic acid
| Molecular Formula | C18H16N2O5S |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 2.6027 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.078 |
| Heavy Atoms | 26 |
| Complexity | 870.1649 |
Chemical Identifiers
| CAS Number | 831188-53-5 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O |
Product Overview
2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 831188-53-5), with molecular formula C18H16N2O5S and molecular weight 372.08 g/mol. IUPAC: 2-[1-(2-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 2.6027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid has 1 hydrogen bond donor(s) and 6 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-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 831188-53-5.
What is the molecular formula of 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is C18H16N2O5S.
What is the molecular weight of 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 372.08 g/mol.
Where can I buy 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-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-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(2-Ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.