![2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone structure](/static/products/879/879436-63-2.png)
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
TL;DR: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone (CAS 879436-63-2) is a chemical compound with molecular formula C15H16N6OS and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
Also Known As: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone, 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(p-tolyl)ethanone, 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methylphenyl)ethanone
| Molecular Formula | C15H16N6OS |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 1.97384 |
| Topological Polar Surface Area | 102.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.11063 |
| Heavy Atoms | 23 |
| Complexity | 836.0316 |
Chemical Identifiers
| CAS Number | 879436-63-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2N)C3=NNC(=C3)C |
Product Overview
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone (CAS 879436-63-2), with molecular formula C15H16N6OS and molecular weight 328.11 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone.
Chemical Property Profile of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
Property Insights of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone
The XLogP value of 1.97384 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone. The TPSA of 102.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone. Following Lipinski's Rule of Five, 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone 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 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone?
The CAS number of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone is 879436-63-2.
What is the molecular formula of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone?
The molecular formula of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone is C15H16N6OS.
What is the molecular weight of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone?
The molecular weight of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone is 328.11 g/mol.
Where can I buy 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone?
You can request a quote for 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.