![1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/855/855205-14-0.png)
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 855205-14-0) is a chemical compound with molecular formula C21H22FN5OS and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C21H22FN5OS |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 3.15572 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 411.15292 |
| Heavy Atoms | 29 |
| Complexity | 985.74634 |
Chemical Identifiers
| CAS Number | 855205-14-0 |
|---|---|
| SMILES | CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4F |
Product Overview
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 855205-14-0), with molecular formula C21H22FN5OS and molecular weight 411.15 g/mol. IUPAC: 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 3.15572 indicates that 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone 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
Frequently Asked Questions
What is the CAS number of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is 855205-14-0.
What is the molecular formula of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is C21H22FN5OS.
What is the molecular weight of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone is 411.15 g/mol.
Where can I buy 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.