N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 142529-63-3) is a chemical compound with molecular formula C17H16BrN5OS and molecular weight 417.02588 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-bromophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2-bromophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-Bromophenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-bromophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide, N-(2-bromophenyl)-2-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))acetamide
Technical Specifications
| Molecular Formula | C17H16BrN5OS |
| Molecular Weight | 417.02588 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 98.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.02588 Da |
| Heavy Atoms | 25 |
| Complexity | 443.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2Br)C3=CN=CC=C3 |
| InChIKey | SXFUDXTVCHUGOF-UHFFFAOYSA-N |
Chemical Property Profile of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. Following Lipinski's Rule of Five, N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 142529-63-3.
What is the molecular formula of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is C17H16BrN5OS.
What is the molecular weight of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 417.02588 g/mol.
Where can I buy N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(2-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.