![2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid structure](/static/products/3016/301683-45-4.webp)
2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid
TL;DR: 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid (CAS 301683-45-4) is a chemical compound with molecular formula C18H12F3NO4S and molecular weight 395.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanylbenzoic acid
Also Known As: 2-({2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid, AB00097720-01, AB00097720-02, AE-641/12110187, 2-((2,5-dioxo-1-(3-(trifluoromethyl)phenyl)pyrrolidin-3-yl)thio)benzoic acid
| Molecular Formula | C18H12F3NO4S |
|---|---|
| Molecular Weight | 395.04 g/mol |
| LogP | 3.8278 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.0439 |
| Heavy Atoms | 27 |
| Complexity | 928.81793 |
Chemical Identifiers
| CAS Number | 301683-45-4 |
|---|---|
| SMILES | C1C(C(=O)N(C1=O)C2=CC=CC(=C2)C(F)(F)F)SC3=CC=CC=C3C(=O)O |
Product Overview
2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid (CAS 301683-45-4), with molecular formula C18H12F3NO4S and molecular weight 395.04 g/mol. IUPAC: 2-[2,5-dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]sulfanylbenzoic acid.
Chemical Property Profile of 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid
Property Insights of 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid
The XLogP value of 3.8278 indicates that 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid. Following Lipinski's Rule of Five, 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid?
The CAS number of 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid is 301683-45-4.
What is the molecular formula of 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid?
The molecular formula of 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid is C18H12F3NO4S.
What is the molecular weight of 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid?
The molecular weight of 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid is 395.04 g/mol.
Where can I buy 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid?
You can request a quote for 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)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-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-({2,5-Dioxo-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl}sulfanyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.