2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid
TL;DR: 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid (CAS 278609-78-2) is a chemical compound with molecular formula C18H12F3NO5S and molecular weight 411.04 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]sulfanylbenzoic acid
Also Known As: VU0513200-1, 2-((2,5-dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid, F3205-0105, 2-({2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]tetrahydro-1H-pyrrol-3-yl}thio)benzoic acid, 2-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]sulfanylbenzoic Acid
| Molecular Formula | C18H12F3NO5S |
|---|---|
| Molecular Weight | 411.04 g/mol |
| LogP | 3.7076 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.03882 |
| Heavy Atoms | 28 |
| Complexity | 929.5635 |
Chemical Identifiers
| CAS Number | 278609-78-2 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=C(C=C2)OC(F)(F)F)SC3=CC=CC=C3C(=O)O |
Product Overview
2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid (CAS 278609-78-2), with molecular formula C18H12F3NO5S and molecular weight 411.04 g/mol. IUPAC: 2-[2,5-dioxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid
Property Insights of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid
The XLogP value of 3.7076 indicates that 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid. Following Lipinski's Rule of Five, 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic 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-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid?
The CAS number of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid is 278609-78-2.
What is the molecular formula of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid?
The molecular formula of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid is C18H12F3NO5S.
What is the molecular weight of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid?
The molecular weight of 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid is 411.04 g/mol.
Where can I buy 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid?
You can request a quote for 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic 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)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,5-Dioxo-1-(4-(trifluoromethoxy)phenyl)pyrrolidin-3-yl)thio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.