2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 857494-03-2) is a chemical compound with molecular formula C16H10ClFN2O4S and molecular weight 380.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: AB00681782-01, AS-871/43476087, 2-((1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid, F3023-0619, 2-{[1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyridine-3-carboxylic acid
| Molecular Formula | C16H10ClFN2O4S |
|---|---|
| Molecular Weight | 380.00 g/mol |
| LogP | 2.9965 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0034 |
| Heavy Atoms | 25 |
| Complexity | 892.1885 |
Chemical Identifiers
| CAS Number | 857494-03-2 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)F)Cl)SC3=C(C=CC=N3)C(=O)O |
Product Overview
2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid (CAS 857494-03-2), with molecular formula C16H10ClFN2O4S and molecular weight 380.00 g/mol. IUPAC: 2-[1-(3-chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 2.9965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((1-(3-Chloro-4-fluorophenyl)-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-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((1-(3-Chloro-4-fluorophenyl)-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-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 857494-03-2.
What is the molecular formula of 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is C16H10ClFN2O4S.
What is the molecular weight of 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid is 380.00 g/mol.
Where can I buy 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((1-(3-Chloro-4-fluorophenyl)-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-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((1-(3-Chloro-4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.