Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate
TL;DR: Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate (CAS 126651-72-7) is a chemical compound with molecular formula C12H20N4O4S2 and molecular weight 348.0926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[4-(ethoxycarbonylcarbamothioyl)piperazine-1-carbothioyl]carbamate
Also Known As: AE-641/40198031, ethyl (4-{[(ethoxycarbonyl)amino]carbothioyl}-1-piperazinyl)carbothioylcarbamate, ethyl N-[4-(ethoxycarbonylcarbamothioyl)piperazine-1-carbothioyl]carbamate, Ethyl N-[4-(ethoxycarbonylthiocarbamoyl)piperazine-1-carbothioyl]carbamate, Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate
Technical Specifications
| Molecular Formula | C12H20N4O4S2 |
| Molecular Weight | 348.0926 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.0926 Da |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
| SMILES | CCOC(=O)NC(=S)N1CCN(CC1)C(=S)NC(=O)OCC |
| InChIKey | RVACUTVPYHMXBK-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate
Property Insights of Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate. The TPSA of 147.0 Ų indicates high polarity, suggesting Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate has 2 hydrogen bond donor(s) and 6 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 (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate?
The CAS number of Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate is 126651-72-7.
What is the molecular formula of Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate?
The molecular formula of Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate is C12H20N4O4S2.
What is the molecular weight of Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate?
The molecular weight of Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate is 348.0926 g/mol.
Where can I buy Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate?
You can request a quote for Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate?
Yes, CoreyChem provides custom synthesis services for Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.