ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate
TL;DR: ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate (CAS 403833-75-0) is a chemical compound with molecular formula C12H19N5O3S and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate
Also Known As: VU0494134-1, F1016-0103, ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate, ethyl 4-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate, ethyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate
| Molecular Formula | C12H19N5O3S |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 0.2079 |
| Topological Polar Surface Area | 80.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12085 |
| Heavy Atoms | 21 |
| Complexity | 498.83728 |
Chemical Identifiers
| CAS Number | 403833-75-0 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=CN2C |
Product Overview
ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate (CAS 403833-75-0), with molecular formula C12H19N5O3S and molecular weight 313.12 g/mol. IUPAC: ethyl 4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate
Property Insights of ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate
The XLogP value of 0.2079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate. The TPSA of 80.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate has 0 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-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate?
The CAS number of ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate is 403833-75-0.
What is the molecular formula of ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular formula of ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate is C12H19N5O3S.
What is the molecular weight of ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate?
The molecular weight of ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate is 313.12 g/mol.
Where can I buy ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate?
You can request a quote for ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-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-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.