2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 643746-45-6) is a chemical compound with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: 2-((1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, 2-{[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid, F1457-0041, 2-[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid, 2-[1-(4-methyl-2-nitrophenyl)-2,5-dioxoazolidin-3-ylthio]pyridine-3-carboxylic acid
| Molecular Formula | C17H13N3O6S |
|---|---|
| Molecular Weight | 387.05 g/mol |
| LogP | 2.42062 |
| Topological Polar Surface Area | 130.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.05252 |
| Heavy Atoms | 27 |
| Complexity | 976.8912 |
Chemical Identifiers
| CAS Number | 643746-45-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=O)CC(C2=O)SC3=C(C=CC=N3)C(=O)O)[N+](=O)[O-] |
Product Overview
2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 643746-45-6), with molecular formula C17H13N3O6S and molecular weight 387.05 g/mol. IUPAC: 2-[1-(4-methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 2.42062 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. The TPSA of 130.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid has 1 hydrogen bond donor(s) and 7 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-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 643746-45-6.
What is the molecular formula of 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is C17H13N3O6S.
What is the molecular weight of 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 387.05 g/mol.
Where can I buy 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((1-(4-Methyl-2-nitrophenyl)-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-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(4-Methyl-2-nitrophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.