![N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide structure](/static/products/7082/708294-16-0.webp)
N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide
TL;DR: N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide (CAS 708294-16-0) is a chemical compound with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
Also Known As: N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide, N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide
| Molecular Formula | C20H21BrN4OS |
|---|---|
| Molecular Weight | 444.06 g/mol |
| LogP | 4.59122 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.06195 |
| Heavy Atoms | 27 |
| Complexity | 923.9861 |
Chemical Identifiers
| CAS Number | 708294-16-0 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)CNC(=O)C3=CC=CC(=C3)C |
Product Overview
N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide (CAS 708294-16-0), with molecular formula C20H21BrN4OS and molecular weight 444.06 g/mol. IUPAC: N-[[5-[(4-bromophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]-3-methylbenzamide.
Chemical Property Profile of N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide
Property Insights of N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide
The XLogP value of 4.59122 indicates that N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide 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-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide 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-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide?
The CAS number of N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide is 708294-16-0.
What is the molecular formula of N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide?
The molecular formula of N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide is C20H21BrN4OS.
What is the molecular weight of N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide?
The molecular weight of N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide is 444.06 g/mol.
Where can I buy N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide?
You can request a quote for N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-({5-[(4-bromobenzyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}methyl)-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.