ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate
TL;DR: ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate (CAS 590360-41-1) is a chemical compound with molecular formula C18H22N6O4S2 and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]piperazine-1-carboxylate
Also Known As: ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate, ethyl 4-[({4-[(pyrimidin-2-ylamino)sulfonyl]phenyl}amino)thioxomethyl]piperazi necarboxylate, ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]piperazine-1-carboxylate, Ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]thiocarbamoyl]piperazine-1-carboxylate, ethyl 4-{[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl}piperazine-1-carboxylate
| Molecular Formula | C18H22N6O4S2 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 1.7483 |
| Topological Polar Surface Area | 116.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1144 |
| Heavy Atoms | 30 |
| Complexity | 977.49603 |
Chemical Identifiers
| CAS Number | 590360-41-1 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3 |
Product Overview
ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate (CAS 590360-41-1), with molecular formula C18H22N6O4S2 and molecular weight 450.11 g/mol. IUPAC: ethyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]carbamothioyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate
Property Insights of ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate
The XLogP value of 1.7483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate. The TPSA of 116.76 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate has 2 hydrogen bond donor(s) and 7 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-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate is 590360-41-1.
What is the molecular formula of ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate is C18H22N6O4S2.
What is the molecular weight of ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate is 450.11 g/mol.
Where can I buy ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-((4-(N-(pyrimidin-2-yl)sulfamoyl)phenyl)carbamothioyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.