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Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate
TL;DR: Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate (CAS 1009576-47-9) is a chemical compound with molecular formula C20H19FN2O4 and molecular weight 370.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[1-(4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate
Also Known As: CBKinase1_012060, CBKinase1_024460, benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate, benzyl 2-[1-(4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate, BRD-A74294541-001-01-1
| Molecular Formula | C20H19FN2O4 |
|---|---|
| Molecular Weight | 370.13 g/mol |
| LogP | 1.8998 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.13287 |
| Heavy Atoms | 27 |
| Complexity | 823.6352 |
Chemical Identifiers
| CAS Number | 1009576-47-9 |
|---|---|
| SMILES | C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F |
Product Overview
Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate (CAS 1009576-47-9), with molecular formula C20H19FN2O4 and molecular weight 370.13 g/mol. IUPAC: benzyl 2-[1-(4-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate
Property Insights of Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate
The XLogP value of 1.8998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate. Following Lipinski's Rule of Five, Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate has 1 hydrogen bond donor(s) and 4 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 Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate?
The CAS number of Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate is 1009576-47-9.
What is the molecular formula of Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate?
The molecular formula of Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate is C20H19FN2O4.
What is the molecular weight of Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate?
The molecular weight of Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate is 370.13 g/mol.
Where can I buy Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate?
You can request a quote for Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl [1-(4-fluorobenzoyl)-3-oxo-2-piperazinyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.