![2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide structure](/static/products/5869/586994-28-7.webp)
2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide
TL;DR: 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide (CAS 586994-28-7) is a chemical compound with molecular formula C18H17Br2N5OS and molecular weight 508.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide
Also Known As: 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide, 2-((4-amino-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dibromo-4-methylphenyl)acetamide, 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide, 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dibromo-4-methylphenyl)acetamide
| Molecular Formula | C18H17Br2N5OS |
|---|---|
| Molecular Weight | 508.95 g/mol |
| LogP | 4.53154 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.95206 |
| Heavy Atoms | 27 |
| Complexity | 982.16223 |
Chemical Identifiers
| CAS Number | 586994-28-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2N)SCC(=O)NC3=C(C=C(C=C3Br)C)Br |
Product Overview
2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide (CAS 586994-28-7), with molecular formula C18H17Br2N5OS and molecular weight 508.95 g/mol. IUPAC: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,6-dibromo-4-methylphenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide
Property Insights of 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide
The XLogP value of 4.53154 indicates that 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide. Following Lipinski's Rule of Five, 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide has 2 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-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide?
The CAS number of 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide is 586994-28-7.
What is the molecular formula of 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide?
The molecular formula of 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide is C18H17Br2N5OS.
What is the molecular weight of 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide?
The molecular weight of 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide is 508.95 g/mol.
Where can I buy 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide?
You can request a quote for 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(2,6-dibromo-4-methyl phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.