2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 526190-72-7) is a chemical compound with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid
Also Known As: 2-((1-methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, BAS 06262539, AB00457511-04, 2-(1-Methyl-2,5-dioxo-pyrrolidin-3-ylsulfanyl)-nicotinic acid, F1383-0046
| Molecular Formula | C11H10N2O4S |
|---|---|
| Molecular Weight | 266.04 g/mol |
| LogP | 0.6292 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.03613 |
| Heavy Atoms | 18 |
| Complexity | 531.5294 |
Chemical Identifiers
| CAS Number | 526190-72-7 |
|---|---|
| SMILES | CN1C(=O)CC(C1=O)SC2=C(C=CC=N2)C(=O)O |
Product Overview
2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 526190-72-7), with molecular formula C11H10N2O4S and molecular weight 266.04 g/mol. IUPAC: 2-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 0.6292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((1-Methyl-2,5-dioxopyrrolidin-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-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 526190-72-7.
What is the molecular formula of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is C11H10N2O4S.
What is the molecular weight of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 266.04 g/mol.
Where can I buy 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((1-Methyl-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-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-Methyl-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.