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 348.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H20N4O4S2 |
|---|---|
| Molecular Weight | 348.09 g/mol |
| LogP | 0.666 |
| Topological Polar Surface Area | 83.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0926 |
| Heavy Atoms | 22 |
| Complexity | 398.8422 |
Chemical Identifiers
| CAS Number | 126651-72-7 |
|---|---|
| SMILES | CCOC(=O)NC(=S)N1CCN(CC1)C(=S)NC(=O)OCC |
Product Overview
Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate (CAS 126651-72-7), with molecular formula C12H20N4O4S2 and molecular weight 348.09 g/mol. IUPAC: ethyl N-[4-(ethoxycarbonylcarbamothioyl)piperazine-1-carbothioyl]carbamate.
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 0.666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate. The TPSA of 83.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate. 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
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 348.09 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-(((ethoxycarbonyl)amino)carbothioyl)-1-piperazinyl)carbothioylcarbamate?
Yes, KEHONG BIO 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.