N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 142529-64-4) is a chemical compound with molecular formula C17H16BrN5OS and molecular weight 417.03 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-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: Salor-int l368350-1ea, N-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-3-yl-4H-1,2,4-triazol-3-yl)thio]acetamide, N-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-bromophenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
| Molecular Formula | C17H16BrN5OS |
|---|---|
| Molecular Weight | 417.03 g/mol |
| LogP | 3.8533 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.02588 |
| Heavy Atoms | 25 |
| Complexity | 851.23456 |
Chemical Identifiers
| CAS Number | 142529-64-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3=CN=CC=C3 |
Product Overview
N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 142529-64-4), with molecular formula C17H16BrN5OS and molecular weight 417.03 g/mol. IUPAC: N-(4-bromophenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 3.8533 indicates that N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-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 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. Following Lipinski's Rule of Five, N-(4-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
Frequently Asked Questions
What is the CAS number of N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 142529-64-4.
What is the molecular formula of N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-(4-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-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 417.03 g/mol.
Where can I buy N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-(4-BR-PH)-2-((4-Ethyl-5-(3-pyridinyl)-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-(3-pyridinyl)-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-(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.