ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate
TL;DR: ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate (CAS 774-89-0) 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 (2Z)-2-(3-oxopiperazin-2-ylidene)acetate
Also Known As: ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate, ethyl (2Z)-2-(3-oxopiperazin-2-ylidene)acetate, ethyl (2E)-(3-oxopiperazin-2-ylidene)acetate, ethyl (3-oxo-2-piperazinylidene)acetate, ETHYL 2-(3-OXO-2-PIPERAZINYLIDENE)ACETATE
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | -0.8472 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 247.7737 |
Chemical Identifiers
| CAS Number | 774-89-0 |
|---|---|
| SMILES | CCOC(=O)/C=C\1/C(=O)NCCN1 |
Product Overview
ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate (CAS 774-89-0), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: ethyl (2Z)-2-(3-oxopiperazin-2-ylidene)acetate.
Chemical Property Profile of ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate
Property Insights of ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate
The XLogP value of -0.8472 indicates that ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate. Following Lipinski's Rule of Five, ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate 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 (2Z)-(3-oxopiperazin-2-ylidene)ethanoate?
The CAS number of ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate is 774-89-0.
What is the molecular formula of ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate?
The molecular formula of ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate is C8H12N2O3.
What is the molecular weight of ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate?
The molecular weight of ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate is 184.08 g/mol.
Where can I buy ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate?
You can request a quote for ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2Z)-(3-oxopiperazin-2-ylidene)ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.