Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate
TL;DR: Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate (CAS 313380-63-1) is a chemical compound with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate
Also Known As: BAS 01268364, AB00101421-01, AJ-292/13605018, ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate, ethyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate
| Molecular Formula | C21H23N5O4 |
|---|---|
| Molecular Weight | 409.18 g/mol |
| LogP | 1.1074 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.17502 |
| Heavy Atoms | 30 |
| Complexity | 926.1727 |
Chemical Identifiers
| CAS Number | 313380-63-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=NC=CC=N4 |
Product Overview
Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate (CAS 313380-63-1), with molecular formula C21H23N5O4 and molecular weight 409.18 g/mol. IUPAC: ethyl 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate.
Chemical Property Profile of Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate
Property Insights of Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate
The XLogP value of 1.1074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate. Following Lipinski's Rule of Five, Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate has 0 hydrogen bond donor(s) and 8 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 Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate?
The CAS number of Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate is 313380-63-1.
What is the molecular formula of Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate?
The molecular formula of Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate is C21H23N5O4.
What is the molecular weight of Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate?
The molecular weight of Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate is 409.18 g/mol.
Where can I buy Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate?
You can request a quote for Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.