![4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid structure](/static/products/3117/311782-83-9.webp)
4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
TL;DR: 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid (CAS 311782-83-9) is a chemical compound with molecular formula C21H20FN3O4 and molecular weight 397.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoic acid
Also Known As: BIM-0027227.P001, 4-{3-[4-(2-fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid, A1471/0064898, 4-{3-[4-(2-fluorophenyl)piperazinyl]-2,5-dioxoazolidinyl}benzoic acid, 4-(3-(4-(2-fluorophenyl)piperazin-1-yl)-2,5-dioxopyrrolidin-1-yl)benzoic acid
| Molecular Formula | C21H20FN3O4 |
|---|---|
| Molecular Weight | 397.14 g/mol |
| LogP | 1.978 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.1438 |
| Heavy Atoms | 29 |
| Complexity | 954.6535 |
Chemical Identifiers
| CAS Number | 311782-83-9 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4F |
Product Overview
4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid (CAS 311782-83-9), with molecular formula C21H20FN3O4 and molecular weight 397.14 g/mol. IUPAC: 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
Property Insights of 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid
The XLogP value of 1.978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}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 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The CAS number of 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid is 311782-83-9.
What is the molecular formula of 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The molecular formula of 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid is C21H20FN3O4.
What is the molecular weight of 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
The molecular weight of 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid is 397.14 g/mol.
Where can I buy 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
You can request a quote for 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{3-[4-(2-Fluorophenyl)piperazin-1-yl]-2,5-dioxopyrrolidin-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.