![2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide structure](/static/products/5886/588684-89-3.webp)
2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide
TL;DR: 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide (CAS 588684-89-3) is a chemical compound with molecular formula C19H22Br2N6OS and molecular weight 539.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide
Also Known As: 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide, 2-({5-[2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-bromophenyl)acetamide, 2-{5-[2-(4-bromo-3,5-dimethylpyrazolyl)ethyl]-4-ethyl(1,2,4-triazol-3-ylthio)} -N-(3-bromophenyl)acetamide
| Molecular Formula | C19H22Br2N6OS |
|---|---|
| Molecular Weight | 539.99 g/mol |
| LogP | 4.60984 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.99426 |
| Heavy Atoms | 29 |
| Complexity | 1016.2957 |
Chemical Identifiers
| CAS Number | 588684-89-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Br)CCN3C(=C(C(=N3)C)Br)C |
Product Overview
2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide (CAS 588684-89-3), with molecular formula C19H22Br2N6OS and molecular weight 539.99 g/mol. IUPAC: 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide.
Chemical Property Profile of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide
Property Insights of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide
The XLogP value of 4.60984 indicates that 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide. Following Lipinski's Rule of Five, 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide?
The CAS number of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide is 588684-89-3.
What is the molecular formula of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide?
The molecular formula of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide is C19H22Br2N6OS.
What is the molecular weight of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide?
The molecular weight of 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide is 539.99 g/mol.
Where can I buy 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide?
You can request a quote for 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-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-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-bromophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.