Ethyl 2-(3-oxo-2-piperazinylidene)acetate
TL;DR: Ethyl 2-(3-oxo-2-piperazinylidene)acetate (CAS 170952-79-1) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-oxopiperazin-2-ylidene)acetate
Also Known As: ethyl 2-(3-oxopiperazin-2-ylidene)acetate, ethyl (2E)-(3-oxopiperazin-2-ylidene)acetate, ETHYL 2-(3-OXO-2-PIPERAZINYLIDENE)ACETATE, ethyl (3-oxo-2-piperazinylidene)acetate, Ethyl (2E)-(3-oxo-2-piperazinylidene)ethanoate
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 170952-79-1 |
|---|---|
| SMILES | CCOC(=O)C=C1C(=O)NCCN1 |
| InChIKey | OMOSGPZSZJCWHI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(3-oxo-2-piperazinylidene)acetate (CAS 170952-79-1), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: ethyl 2-(3-oxopiperazin-2-ylidene)acetate.
Chemical Property Profile of Ethyl 2-(3-oxo-2-piperazinylidene)acetate
Property Insights of Ethyl 2-(3-oxo-2-piperazinylidene)acetate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(3-oxo-2-piperazinylidene)acetate. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(3-oxo-2-piperazinylidene)acetate. Following Lipinski's Rule of Five, Ethyl 2-(3-oxo-2-piperazinylidene)acetate has 2 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 2-(3-oxo-2-piperazinylidene)acetate?
The CAS number of Ethyl 2-(3-oxo-2-piperazinylidene)acetate is 170952-79-1.
What is the molecular formula of Ethyl 2-(3-oxo-2-piperazinylidene)acetate?
The molecular formula of Ethyl 2-(3-oxo-2-piperazinylidene)acetate is C8H12N2O3.
What is the molecular weight of Ethyl 2-(3-oxo-2-piperazinylidene)acetate?
The molecular weight of Ethyl 2-(3-oxo-2-piperazinylidene)acetate is 184.08 g/mol.
Where can I buy Ethyl 2-(3-oxo-2-piperazinylidene)acetate?
You can request a quote for Ethyl 2-(3-oxo-2-piperazinylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(3-oxo-2-piperazinylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(3-oxo-2-piperazinylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.