![N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide structure](/static/products/833/833433-08-2.png)
N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
TL;DR: N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide (CAS 833433-08-2) is a chemical compound with molecular formula C23H25FN6O2S and molecular weight 468.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
Also Known As: N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide, N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
| Molecular Formula | C23H25FN6O2S |
|---|---|
| Molecular Weight | 468.17 g/mol |
| LogP | 2.5763 |
| Topological Polar Surface Area | 83.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 468.17438 |
| Heavy Atoms | 33 |
| Complexity | 1115.1492 |
Chemical Identifiers
| CAS Number | 833433-08-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC=CC=C3)CC(=O)NC4=CC=CC=C4F |
Product Overview
N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide (CAS 833433-08-2), with molecular formula C23H25FN6O2S and molecular weight 468.17 g/mol. IUPAC: N-(2-fluorophenyl)-2-[4-methyl-5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.
Chemical Property Profile of N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
Property Insights of N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide
The XLogP value of 2.5763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide. The TPSA of 83.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide. Following Lipinski's Rule of Five, N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide has 1 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 N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide?
The CAS number of N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide is 833433-08-2.
What is the molecular formula of N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide?
The molecular formula of N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide is C23H25FN6O2S.
What is the molecular weight of N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide?
The molecular weight of N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide is 468.17 g/mol.
Where can I buy N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide?
You can request a quote for N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-fluorophenyl)-2-(4-methyl-5-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.