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Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate
TL;DR: Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate (CAS 1009005-01-9) is a chemical compound with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetate
Also Known As: ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate, Ethyl 2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetate, ethyl 2-[3-oxo-1-(2-thienylmethyl)piperazin-2-yl]acetate, ethyl [3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetate, ethyl 2-(3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl)acetate
| Molecular Formula | C13H18N2O3S |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 1.0017 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.10382 |
| Heavy Atoms | 19 |
| Complexity | 433.10654 |
Chemical Identifiers
| CAS Number | 1009005-01-9 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1CC2=CC=CS2 |
Product Overview
Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate (CAS 1009005-01-9), with molecular formula C13H18N2O3S and molecular weight 282.10 g/mol. IUPAC: ethyl 2-[3-oxo-1-(thiophen-2-ylmethyl)piperazin-2-yl]acetate.
Chemical Property Profile of Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate
Property Insights of Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate
The XLogP value of 1.0017 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate. With a topological polar surface area (TPSA) of 58.64 Ų, Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl [3-oxo-1-(2-thienylmethyl)-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 [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate?
The CAS number of Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate is 1009005-01-9.
What is the molecular formula of Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate?
The molecular formula of Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate is C13H18N2O3S.
What is the molecular weight of Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate?
The molecular weight of Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate is 282.10 g/mol.
Where can I buy Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate?
You can request a quote for Ethyl [3-oxo-1-(2-thienylmethyl)-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 [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [3-oxo-1-(2-thienylmethyl)-2-piperazinyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.