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Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate
TL;DR: Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate (CAS 126462-91-7) is a chemical compound with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate
Also Known As: ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate, ethyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate, ethyl 2-(3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl)acetate, ethyl 2-{3-oxo-1-[(phenylamino)thioxomethyl]piperazin-2-yl}acetate, (3-Oxo-1-phenylthiocarbamoyl-piperazin-2-yl)-acetic acid ethyl ester
| Molecular Formula | C15H19N3O3S |
|---|---|
| Molecular Weight | 321.11 g/mol |
| LogP | 1.137 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.11472 |
| Heavy Atoms | 22 |
| Complexity | 550.22345 |
Chemical Identifiers
| CAS Number | 126462-91-7 |
|---|---|
| SMILES | CCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2 |
Product Overview
Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate (CAS 126462-91-7), with molecular formula C15H19N3O3S and molecular weight 321.11 g/mol. IUPAC: ethyl 2-[3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate.
Chemical Property Profile of Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate
Property Insights of Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate
The XLogP value of 1.137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate. Following Lipinski's Rule of Five, Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate 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 [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate?
The CAS number of Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate is 126462-91-7.
What is the molecular formula of Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate?
The molecular formula of Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate is C15H19N3O3S.
What is the molecular weight of Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate?
The molecular weight of Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate is 321.11 g/mol.
Where can I buy Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate?
You can request a quote for Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]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-(phenylcarbamothioyl)piperazin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.