![2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one structure](/static/products/879/879447-09-3.png)
2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one
TL;DR: 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one (CAS 879447-09-3) is a chemical compound with molecular formula C23H18N6OS and molecular weight 426.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone
Also Known As: 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one, 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-1-(naphthalen-2-yl)ethanone, 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone, 2-[[4-amino-5-(5-phenyl-2H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-yl-ethanone, 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(naphthalen-2-yl)ethanone
| Molecular Formula | C23H18N6OS |
|---|---|
| Molecular Weight | 426.13 g/mol |
| LogP | 4.1772 |
| Topological Polar Surface Area | 102.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.12628 |
| Heavy Atoms | 31 |
| Complexity | 1375.3892 |
Chemical Identifiers
| CAS Number | 879447-09-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)C4=CC5=CC=CC=C5C=C4 |
Product Overview
2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one (CAS 879447-09-3), with molecular formula C23H18N6OS and molecular weight 426.13 g/mol. IUPAC: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-1-naphthalen-2-ylethanone.
Chemical Property Profile of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one
Property Insights of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one
The XLogP value of 4.1772 indicates that 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one. Following Lipinski's Rule of Five, 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one 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-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one?
The CAS number of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one is 879447-09-3.
What is the molecular formula of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one?
The molecular formula of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one is C23H18N6OS.
What is the molecular weight of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one?
The molecular weight of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one is 426.13 g/mol.
Where can I buy 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one?
You can request a quote for 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one 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-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-1-(2-naphthyl)eth an-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.