![2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone structure](/static/products/879/879467-57-9.png)
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
TL;DR: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone (CAS 879467-57-9) is a chemical compound with molecular formula C14H13N7O3S and molecular weight 359.08 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-nitrophenyl)ethanone
Also Known As: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone, 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-nitrophenyl)ethanone, 2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(4-nitrophenyl) ethan-1-one, 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-nitrophenyl)ethanone
| Molecular Formula | C14H13N7O3S |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 1.57362 |
| Topological Polar Surface Area | 145.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.08005 |
| Heavy Atoms | 25 |
| Complexity | 932.3109 |
Chemical Identifiers
| CAS Number | 879467-57-9 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone (CAS 879467-57-9), with molecular formula C14H13N7O3S and molecular weight 359.08 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone.
Chemical Property Profile of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
Property Insights of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone
The XLogP value of 1.57362 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-nitrophenyl)ethanone. The TPSA of 145.62 Ų indicates high polarity, suggesting 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone may have limited membrane permeability but good aqueous solubility. 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-nitrophenyl)ethanone has 2 hydrogen bond donor(s) and 8 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-nitrophenyl)ethanone?
The CAS number of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone is 879467-57-9.
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-nitrophenyl)ethanone?
The molecular formula of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone is C14H13N7O3S.
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-nitrophenyl)ethanone?
The molecular weight of 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-nitrophenyl)ethanone is 359.08 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-nitrophenyl)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-nitrophenyl)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-nitrophenyl)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-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.