2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
TL;DR: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 1045864-23-0) is a chemical compound with molecular formula C15H16N6O2S and molecular weight 344.11 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-methoxyphenyl)ethanone
Also Known As: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone, 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone, 2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(4-methoxypheny l)ethan-1-one, 2-{[4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-methoxyphenyl)ethanone
| Molecular Formula | C15H16N6O2S |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 1.67402 |
| Topological Polar Surface Area | 111.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.10553 |
| Heavy Atoms | 24 |
| Complexity | 855.2339 |
Chemical Identifiers
| CAS Number | 1045864-23-0 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)C3=CC=C(C=C3)OC |
Product Overview
2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone (CAS 1045864-23-0), with molecular formula C15H16N6O2S and molecular weight 344.11 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone.
Chemical Property Profile of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
Property Insights of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone
The XLogP value of 1.67402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone. The TPSA of 111.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone has 2 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-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The CAS number of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is 1045864-23-0.
What is the molecular formula of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular formula of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is C15H16N6O2S.
What is the molecular weight of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
The molecular weight of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone is 344.11 g/mol.
Where can I buy 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
You can request a quote for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)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-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-methoxyphenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.