![2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide structure](/static/products/879/879438-60-5.png)
2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide
TL;DR: 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide (CAS 879438-60-5) is a chemical compound with molecular formula C19H16BrN7OS and molecular weight 469.03 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]-N-(4-bromophenyl)acetamide
Also Known As: 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide, 2-((4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide, 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide, 2-[[4-amino-5-(5-phenyl-2H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide, 2-{[4-amino-5-(5-phenyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-bromophenyl)acetamide
| Molecular Formula | C19H16BrN7OS |
|---|---|
| Molecular Weight | 469.03 g/mol |
| LogP | 3.5423 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.03204 |
| Heavy Atoms | 29 |
| Complexity | 1125.1874 |
Chemical Identifiers
| CAS Number | 879438-60-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)NC4=CC=C(C=C4)Br |
Product Overview
2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide (CAS 879438-60-5), with molecular formula C19H16BrN7OS and molecular weight 469.03 g/mol. IUPAC: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-bromophenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide
Property Insights of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide
The XLogP value of 3.5423 indicates that 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 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)]-N-(4-bromophenyl) acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide has 3 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)]-N-(4-bromophenyl) acetamide?
The CAS number of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide is 879438-60-5.
What is the molecular formula of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide?
The molecular formula of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide is C19H16BrN7OS.
What is the molecular weight of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide?
The molecular weight of 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide is 469.03 g/mol.
Where can I buy 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide?
You can request a quote for 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide 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)]-N-(4-bromophenyl) acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3-phenylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(4-bromophenyl) acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.