2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid
TL;DR: 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid (CAS 280133-24-6) is a chemical compound with molecular formula C17H11F3N2O5S and molecular weight 412.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid
Also Known As: Maybridge1_005567, DivK1c_001855, CDS1_000815, VU0513178-1, 2-((2,5-dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid
| Molecular Formula | C17H11F3N2O5S |
|---|---|
| Molecular Weight | 412.03 g/mol |
| LogP | 3.1026 |
| Topological Polar Surface Area | 96.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.0341 |
| Heavy Atoms | 28 |
| Complexity | 933.13525 |
Chemical Identifiers
| CAS Number | 280133-24-6 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)SC3=C(C=CC=N3)C(=O)O |
Product Overview
2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid (CAS 280133-24-6), with molecular formula C17H11F3N2O5S and molecular weight 412.03 g/mol. IUPAC: 2-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]sulfanylpyridine-3-carboxylic acid.
Chemical Property Profile of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid
Property Insights of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid
The XLogP value of 3.1026 indicates that 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-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-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid?
The CAS number of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid is 280133-24-6.
What is the molecular formula of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid?
The molecular formula of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid is C17H11F3N2O5S.
What is the molecular weight of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid?
The molecular weight of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid is 412.03 g/mol.
Where can I buy 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid?
You can request a quote for 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-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-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.