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Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate
TL;DR: Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate (CAS 1008658-22-7) is a chemical compound with molecular formula C15H19FN2O3 and molecular weight 294.13797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
Also Known As: BAS 12361821, ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate, ethyl 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate, ethyl [1-(3-fluorobenzyl)-3-oxo-2-piperazinyl]acetate, ethyl 2-{1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl}acetate
Technical Specifications
| Molecular Formula | C15H19FN2O3 |
| Molecular Weight | 294.13797 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.13797 Da |
| Heavy Atoms | 21 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)CC1C(=O)NCCN1CC2=CC(=CC=C2)F |
| InChIKey | GJQULNRFXWORNU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate
Property Insights of Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate. With a topological polar surface area (TPSA) of 58.6 Ų, Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]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-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate?
The CAS number of Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate is 1008658-22-7.
What is the molecular formula of Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate?
The molecular formula of Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate is C15H19FN2O3.
What is the molecular weight of Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate?
The molecular weight of Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate is 294.13797 g/mol.
Where can I buy Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate?
You can request a quote for Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl [1-(3-fluorobenzyl)-3-oxopiperazin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.