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Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate
TL;DR: Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate (CAS 318288-70-9) is a chemical compound with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate
Also Known As: ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate, ethyl 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate, ethyl2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate, ethyl 2-[1-(benzenesulfonyl)-3-oxo-piperazin-2-yl]acetate
| Molecular Formula | C14H18N2O5S |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 0.1289 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.09363 |
| Heavy Atoms | 22 |
| Complexity | 644.45685 |
Chemical Identifiers
| CAS Number | 318288-70-9 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=CC=C2 |
Product Overview
Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate (CAS 318288-70-9), with molecular formula C14H18N2O5S and molecular weight 326.09 g/mol. IUPAC: ethyl 2-[1-(benzenesulfonyl)-3-oxopiperazin-2-yl]acetate.
Chemical Property Profile of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate
Property Insights of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate
The XLogP value of 0.1289 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate. Following Lipinski's Rule of Five, Ethyl 2-[3-oxo-1-(phenylsulfonyl)-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
Frequently Asked Questions
What is the CAS number of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate?
The CAS number of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate is 318288-70-9.
What is the molecular formula of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate?
The molecular formula of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate is C14H18N2O5S.
What is the molecular weight of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate?
The molecular weight of Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate is 326.09 g/mol.
Where can I buy Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate?
You can request a quote for Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]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-1-(phenylsulfonyl)-2-piperazinyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-oxo-1-(phenylsulfonyl)-2-piperazinyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.