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Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate
TL;DR: Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate (CAS 330865-65-1) is a chemical compound with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate
Also Known As: AB00096085-01, A1904/0079966, methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate, methyl 4-(2,5-dioxo-3-(4-(pyrimidin-2-yl)piperazin-1-yl)pyrrolidin-1-yl)benzoate, methyl 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate
| Molecular Formula | C20H21N5O4 |
|---|---|
| Molecular Weight | 395.16 g/mol |
| LogP | 0.7173 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.15936 |
| Heavy Atoms | 29 |
| Complexity | 910.22864 |
Chemical Identifiers
| CAS Number | 330865-65-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CCN(CC3)C4=NC=CC=N4 |
Product Overview
Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate (CAS 330865-65-1), with molecular formula C20H21N5O4 and molecular weight 395.16 g/mol. IUPAC: methyl 4-[2,5-dioxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzoate.
Chemical Property Profile of Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate
Property Insights of Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate
The XLogP value of 0.7173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 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 Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate. Following Lipinski's Rule of Five, Methyl 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 Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate?
The CAS number of Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate is 330865-65-1.
What is the molecular formula of Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate?
The molecular formula of Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate is C20H21N5O4.
What is the molecular weight of Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate?
The molecular weight of Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate is 395.16 g/mol.
Where can I buy Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate?
You can request a quote for Methyl 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 Methyl 4-{2,5-dioxo-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyrrolidin-1-yl}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.