![ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate structure](/static/products/3122/312288-57-6.webp)
ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
TL;DR: ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate (CAS 312288-57-6) is a chemical compound with molecular formula C17H22ClN5O2S and molecular weight 395.1183 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[[3-(2-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate
Also Known As: ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate, ethyl 4-((3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)methyl)piperazine-1-carboxylate, ethyl 4-[[3-(2-chlorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate, ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate, ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-1,2,4-triazolinyl]methyl}pipera zinecarboxylate
Technical Specifications
| Molecular Formula | C17H22ClN5O2S |
| Molecular Weight | 395.1183 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 83.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 395.1183 Da |
| Heavy Atoms | 26 |
| Complexity | 567.0 |
| SMILES | CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C |
| InChIKey | IONWRXUJYXIVEQ-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Property Insights of ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 5 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-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate?
The CAS number of ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate is 312288-57-6.
What is the molecular formula of ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate?
The molecular formula of ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate is C17H22ClN5O2S.
What is the molecular weight of ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate?
The molecular weight of ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate is 395.1183 g/mol.
Where can I buy ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate?
You can request a quote for ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.