Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate
TL;DR: Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate (CAS 864855-91-4) is a chemical compound with molecular formula C17H20N4O3S2 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate, F0698-0007, ethyl 4-[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]piperazine-1-carboxylate, ethyl 4-{2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl}piperazine-1-carboxylate, ethyl 4-[2-(3-phenyl-1,2,4-thiadiazol-5-ylthio)acetyl]-1-piperazinecarboxylate
| Molecular Formula | C17H20N4O3S2 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.5979 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.0977 |
| Heavy Atoms | 26 |
| Complexity | 745.4761 |
Chemical Identifiers
| CAS Number | 864855-91-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=NS2)C3=CC=CC=C3 |
Product Overview
Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate (CAS 864855-91-4), with molecular formula C17H20N4O3S2 and molecular weight 392.10 g/mol. IUPAC: ethyl 4-[2-[(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate
Property Insights of Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate
The XLogP value of 2.5979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate has 0 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-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate?
The CAS number of Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate is 864855-91-4.
What is the molecular formula of Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular formula of Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate is C17H20N4O3S2.
What is the molecular weight of Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular weight of Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate is 392.10 g/mol.
Where can I buy Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate?
You can request a quote for Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)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-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-((3-phenyl-1,2,4-thiadiazol-5-yl)thio)acetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.