![4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid structure](/static/products/3333/333398-71-3.webp)
4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid
TL;DR: 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid (CAS 333398-71-3) is a chemical compound with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid
Also Known As: BAS 00485287, 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid, A1166/0054318, 4-(2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl)benzoic acid, 4-[2,5-Dioxo-3-(4-phenyl-piperazin-1-yl)-pyrrolidin-1-yl]-benzoic acid
| Molecular Formula | C21H21N3O4 |
|---|---|
| Molecular Weight | 379.15 g/mol |
| LogP | 1.8389 |
| Topological Polar Surface Area | 81.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.1532 |
| Heavy Atoms | 28 |
| Complexity | 889.6265 |
Chemical Identifiers
| CAS Number | 333398-71-3 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4 |
Product Overview
4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid (CAS 333398-71-3), with molecular formula C21H21N3O4 and molecular weight 379.15 g/mol. IUPAC: 4-[2,5-dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid
Property Insights of 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid
The XLogP value of 1.8389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid. The TPSA of 81.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid. Following Lipinski's Rule of Five, 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-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-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid?
The CAS number of 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid is 333398-71-3.
What is the molecular formula of 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid?
The molecular formula of 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid is C21H21N3O4.
What is the molecular weight of 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid?
The molecular weight of 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid is 379.15 g/mol.
Where can I buy 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid?
You can request a quote for 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-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-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2,5-Dioxo-3-(4-phenylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.