![1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone structure](/static/products/879/879461-09-3.png)
1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone
TL;DR: 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone (CAS 879461-09-3) is a chemical compound with molecular formula C14H14N6OS and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one
Also Known As: 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone, 1-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)propan-2-one, 1-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one, 1-[[4-amino-5-(5-phenyl-2H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one, 1-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}propan-2-one
| Molecular Formula | C14H14N6OS |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 1.7301 |
| Topological Polar Surface Area | 102.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 314.09497 |
| Heavy Atoms | 22 |
| Complexity | 794.7833 |
Chemical Identifiers
| CAS Number | 879461-09-3 |
|---|---|
| SMILES | CC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=CC=C3 |
Product Overview
1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone (CAS 879461-09-3), with molecular formula C14H14N6OS and molecular weight 314.09 g/mol. IUPAC: 1-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one.
Chemical Property Profile of 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone
Property Insights of 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone
The XLogP value of 1.7301 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-amino-5-(3-phenylpyrazol-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-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone. Following Lipinski's Rule of Five, 1-[4-amino-5-(3-phenylpyrazol-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-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone?
The CAS number of 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone is 879461-09-3.
What is the molecular formula of 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone?
The molecular formula of 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone is C14H14N6OS.
What is the molecular weight of 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone?
The molecular weight of 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone is 314.09 g/mol.
Where can I buy 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone?
You can request a quote for 1-[4-amino-5-(3-phenylpyrazol-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-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-amino-5-(3-phenylpyrazol-5-yl)-1,2,4-triazol-3-ylthio]acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.