![N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/899/899401-40-2.png)
N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899401-40-2) is a chemical compound with molecular formula C21H21BrN4OS and molecular weight 456.06 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-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromo-3-methylphenyl)acetamide, N-(4-bromo-3-methylphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-bromo-3-methylphenyl)-2-[5-(2-methylphenyl)-4-prop-2-enyl(1,2,4-triazol-3 -ylthio)]acetamide
| Molecular Formula | C21H21BrN4OS |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 5.24124 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.06195 |
| Heavy Atoms | 28 |
| Complexity | 1015.3902 |
Chemical Identifiers
| CAS Number | 899401-40-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)Br)C |
Product Overview
N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 899401-40-2), with molecular formula C21H21BrN4OS and molecular weight 456.06 g/mol. IUPAC: N-(4-bromo-3-methylphenyl)-2-[[5-(2-methylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.24124 indicates that N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-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-(2-methylphenyl)-4-(prop-2-en-1-yl)-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-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 899401-40-2.
What is the molecular formula of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C21H21BrN4OS.
What is the molecular weight of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 456.06 g/mol.
Where can I buy N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-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-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-bromo-3-methylphenyl)-2-{[5-(2-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.