![1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone structure](/static/products/879/879461-27-5.png)
1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone
TL;DR: 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone (CAS 879461-27-5) is a chemical compound with molecular formula C14H13FN6OS and molecular weight 332.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
Also Known As: 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone, 1-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)propan-2-one, 1-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)propan-2-one, 1-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one, 1-[[4-amino-5-[5-(4-fluorophenyl)-2H-pyrazol-3-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
| Molecular Formula | C14H13FN6OS |
|---|---|
| Molecular Weight | 332.09 g/mol |
| LogP | 1.8692 |
| Topological Polar Surface Area | 102.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.08557 |
| Heavy Atoms | 23 |
| Complexity | 841.332 |
Chemical Identifiers
| CAS Number | 879461-27-5 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=C(C=C3)F |
Product Overview
1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone (CAS 879461-27-5), with molecular formula C14H13FN6OS and molecular weight 332.09 g/mol. IUPAC: 1-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.
Chemical Property Profile of 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone
Property Insights of 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone
The XLogP value of 1.8692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone. The TPSA of 102.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone. Following Lipinski's Rule of Five, 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone has 2 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 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone?
The CAS number of 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone is 879461-27-5.
What is the molecular formula of 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone?
The molecular formula of 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone is C14H13FN6OS.
What is the molecular weight of 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone?
The molecular weight of 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone is 332.09 g/mol.
Where can I buy 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone?
You can request a quote for 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl]-1,2,4-triazol-3-ylthio}acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.