![N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/896/896830-88-9.png)
N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896830-88-9) is a chemical compound with molecular formula C18H16BrClN4OS and molecular weight 449.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-bromo-3-methyl-phenyl)-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-3-methylphenyl)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-3-methylphenyl)-2-[5-(3-chlorophenyl)-4-methyl(1,2,4-triazol-3-ylth io)]acetamide
| Molecular Formula | C18H16BrClN4OS |
|---|---|
| Molecular Weight | 449.99 g/mol |
| LogP | 4.93722 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.99167 |
| Heavy Atoms | 26 |
| Complexity | 960.1142 |
Chemical Identifiers
| CAS Number | 896830-88-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)Cl)Br |
Product Overview
N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896830-88-9), with molecular formula C18H16BrClN4OS and molecular weight 449.99 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.93722 indicates that N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 4 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-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 896830-88-9.
What is the molecular formula of N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C18H16BrClN4OS.
What is the molecular weight of N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 449.99 g/mol.
Where can I buy N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-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-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-3-methylphenyl)-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.