Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate
TL;DR: Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate (CAS 349401-48-5) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-benzylpiperazin-1-yl)-2-oxoacetate
Also Known As: 2-(4-Benzyl-piperazin-1-yl)-2-oxo-acetic acid ethyl ester, ethyl 2-(4-benzylpiperazin-1-yl)-2-oxoacetate, 2- -2-OXO-ACETICACIDETHYLESTER, ethyl (4-benzylpiperazin-1-yl)(oxo)acetate, Ethyl 2-(4-benzylpiperazin-1-yl)-2-oxo-acetate
| Molecular Formula | C15H20N2O3 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | 0.8939 |
| Topological Polar Surface Area | 49.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.1474 |
| Heavy Atoms | 20 |
| Complexity | 453.44626 |
Chemical Identifiers
| CAS Number | 349401-48-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)N1CCN(CC1)CC2=CC=CC=C2 |
Product Overview
Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate (CAS 349401-48-5), with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol. IUPAC: ethyl 2-(4-benzylpiperazin-1-yl)-2-oxoacetate.
Chemical Property Profile of Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate
Property Insights of Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate
The XLogP value of 0.8939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate. With a topological polar surface area (TPSA) of 49.85 Ų, Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate has 0 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 (4-benzylpiperazin-1-yl)(oxo)acetate?
The CAS number of Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate is 349401-48-5.
What is the molecular formula of Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate?
The molecular formula of Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate is C15H20N2O3.
What is the molecular weight of Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate?
The molecular weight of Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate is 276.15 g/mol.
Where can I buy Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate?
You can request a quote for Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-benzylpiperazin-1-yl)(oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.