N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 577986-14-2) is a chemical compound with molecular formula C16H15BrN6OS and molecular weight 418.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromophenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-Bromophenyl)-2-((4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromophenyl)-2-{[4-ethyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide, N-(4-bromophenyl)-2-(4-ethyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))acetamide, N-(4-bromophenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C16H15BrN6OS |
|---|---|
| Molecular Weight | 418.02 g/mol |
| LogP | 3.2483 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.02115 |
| Heavy Atoms | 25 |
| Complexity | 852.8213 |
Chemical Identifiers
| CAS Number | 577986-14-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=NC=CN=C3 |
Product Overview
N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 577986-14-2), with molecular formula C16H15BrN6OS and molecular weight 418.02 g/mol. IUPAC: N-(4-bromophenyl)-2-[(4-ethyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 3.2483 indicates that N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. Following Lipinski's Rule of Five, N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide has 1 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 N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 577986-14-2.
What is the molecular formula of N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is C16H15BrN6OS.
What is the molecular weight of N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 418.02 g/mol.
Where can I buy N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-BR-PH)-2-((4-Ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.