![4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid structure](/static/products/3133/313378-47-1.webp)
4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid
TL;DR: 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid (CAS 313378-47-1) is a chemical compound with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid
Also Known As: A0699/0032593, 4-{2,5-dioxo-3-[4-(2-pyrimidinyl)-1-piperazinyl]-1-pyrrolidinyl}benzoic acid, 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid, 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoic acid, 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid
| Molecular Formula | C19H19N5O4 |
|---|---|
| Molecular Weight | 381.14 g/mol |
| LogP | 0.6289 |
| Topological Polar Surface Area | 106.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.1437 |
| Heavy Atoms | 28 |
| Complexity | 894.2998 |
Chemical Identifiers
| CAS Number | 313378-47-1 |
|---|---|
| SMILES | C1CN(CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O)C4=NC=CC=N4 |
Product Overview
4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid (CAS 313378-47-1), with molecular formula C19H19N5O4 and molecular weight 381.14 g/mol. IUPAC: 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoic acid.
Chemical Property Profile of 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid
Property Insights of 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid
The XLogP value of 0.6289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid. The TPSA of 106.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid. Following Lipinski's Rule of Five, 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid has 1 hydrogen bond donor(s) and 7 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-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid?
The CAS number of 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid is 313378-47-1.
What is the molecular formula of 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid?
The molecular formula of 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid is C19H19N5O4.
What is the molecular weight of 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid?
The molecular weight of 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid is 381.14 g/mol.
Where can I buy 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid?
You can request a quote for 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-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-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{2,5-Dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.