Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate
TL;DR: Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate (CAS 318469-63-5) is a chemical compound with molecular formula C15H17ClN2O4 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]acetate
Also Known As: ethyl 2-[1-(4-chlorobenzoyl)-3-oxo-2-piperazinyl]acetate, ethyl 2-[1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]acetate, Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate, Ethyl [1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]acetate, ethyl2-[1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]acetate
| Molecular Formula | C15H17ClN2O4 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 1.2338 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.08768 |
| Heavy Atoms | 22 |
| Complexity | 573.4101 |
Chemical Identifiers
| CAS Number | 318469-63-5 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)Cl |
Product Overview
Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate (CAS 318469-63-5), with molecular formula C15H17ClN2O4 and molecular weight 324.09 g/mol. IUPAC: ethyl 2-[1-(4-chlorobenzoyl)-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate
Property Insights of Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate
The XLogP value of 1.2338 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate. Following Lipinski's Rule of Five, Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate 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 Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate?
The CAS number of Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate is 318469-63-5.
What is the molecular formula of Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate?
The molecular formula of Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate is C15H17ClN2O4.
What is the molecular weight of Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate?
The molecular weight of Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate is 324.09 g/mol.
Where can I buy Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate?
You can request a quote for Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-(4-chlorobenzoyl)-3-oxo-2-piperazineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.