![2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone structure](/static/products/863/863459-79-4.png)
2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
TL;DR: 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CAS 863459-79-4) is a chemical compound with molecular formula C22H20FN7OS and molecular weight 449.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone, 2-{[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-1-(4-phenylpiperazin-1-yl)ethan-1-one, 2-((3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)-1-(4-phenylpiperazin-1-yl)ethanone, 3-(4-fluorophenyl)-7-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]thio}-3H-[1,2,3]triazolo[4,5-d]pyrimidine
| Molecular Formula | C22H20FN7OS |
|---|---|
| Molecular Weight | 449.14 g/mol |
| LogP | 2.7905 |
| Topological Polar Surface Area | 80.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.1434 |
| Heavy Atoms | 32 |
| Complexity | 1224.2617 |
Chemical Identifiers
| CAS Number | 863459-79-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC=NC4=C3N=NN4C5=CC=C(C=C5)F |
Product Overview
2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone (CAS 863459-79-4), with molecular formula C22H20FN7OS and molecular weight 449.14 g/mol. IUPAC: 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
Property Insights of 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
The XLogP value of 2.7905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone. The TPSA of 80.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone. Following Lipinski's Rule of Five, 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone 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 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The CAS number of 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is 863459-79-4.
What is the molecular formula of 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular formula of 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is C22H20FN7OS.
What is the molecular weight of 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
The molecular weight of 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone is 449.14 g/mol.
Where can I buy 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
You can request a quote for 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-fluorophenyl)triazolo[4,5-d]pyrimidin-7-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.