![N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE structure](/static/products/5787/578744-30-6.webp)
N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
TL;DR: N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE (CAS 578744-30-6) is a chemical compound with molecular formula C18H18BrN5OS and molecular weight 431.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-2-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE, N-(4-bromo-2-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-Bromo-2-methylphenyl)-2-((4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromo-2-methylphenyl)-2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromo-2-methylphenyl)-2-(4-ethyl-5-(3-pyridyl)(1,2,4-triazol-3-ylthio))ac etamide
| Molecular Formula | C18H18BrN5OS |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 4.16172 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.04153 |
| Heavy Atoms | 26 |
| Complexity | 913.1998 |
Chemical Identifiers
| CAS Number | 578744-30-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C)C3=CN=CC=C3 |
Product Overview
N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE (CAS 578744-30-6), with molecular formula C18H18BrN5OS and molecular weight 431.04 g/mol. IUPAC: N-(4-bromo-2-methylphenyl)-2-[(4-ethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
Property Insights of N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE
The XLogP value of 4.16172 indicates that N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}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-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE. Following Lipinski's Rule of Five, N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}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-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE?
The CAS number of N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE is 578744-30-6.
What is the molecular formula of N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE?
The molecular formula of N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE is C18H18BrN5OS.
What is the molecular weight of N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE?
The molecular weight of N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE is 431.04 g/mol.
Where can I buy N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE?
You can request a quote for N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}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-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE?
Yes, KEHONG BIO provides custom synthesis services for N-(4-BROMO-2-METHYLPHENYL)-2-{[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.