![Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate structure](/static/products/1008/1008061-73-1.webp)
Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate
TL;DR: Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate (CAS 1008061-73-1) is a chemical compound with molecular formula C17H21BrN2O5 and molecular weight 412.0634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[1-[2-(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
Also Known As: ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate, ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl}acetate, ethyl 2-(1-(2-(4-bromo-2-methylphenoxy)acetyl)-3-oxopiperazin-2-yl)acetate, ethyl 2-[1-[2-(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate, ETHYL 2-{1-[2-(4-BROMO-2-METHYLPHENOXY)ACETYL]-3-OXOPIPERAZIN-2-YL}ACETATE
Technical Specifications
| Molecular Formula | C17H21BrN2O5 |
| Molecular Weight | 412.0634 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 412.0634 Da |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=O)COC2=C(C=C(C=C2)Br)C |
| InChIKey | HRXUBYMASKBDIT-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate
Property Insights of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate. Following Lipinski's Rule of Five, Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate?
The CAS number of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate is 1008061-73-1.
What is the molecular formula of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate?
The molecular formula of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate is C17H21BrN2O5.
What is the molecular weight of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate?
The molecular weight of Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate is 412.0634 g/mol.
Where can I buy Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate?
You can request a quote for Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.