![1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone structure](/static/products/7089/708995-61-3.webp)
1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
TL;DR: 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone (CAS 708995-61-3) is a chemical compound with molecular formula C21H22BrN3O3S and molecular weight 475.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone, 1-(4-bromophenyl)-2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
| Molecular Formula | C21H22BrN3O3S |
|---|---|
| Molecular Weight | 475.06 g/mol |
| LogP | 4.83872 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 475.05652 |
| Heavy Atoms | 29 |
| Complexity | 989.3364 |
Chemical Identifiers
| CAS Number | 708995-61-3 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C)OCC2=NN=C(N2C)SCC(=O)C3=CC=C(C=C3)Br |
Product Overview
1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone (CAS 708995-61-3), with molecular formula C21H22BrN3O3S and molecular weight 475.06 g/mol. IUPAC: 1-(4-bromophenyl)-2-[[5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
Property Insights of 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone
The XLogP value of 4.83872 indicates that 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone has 0 hydrogen bond donor(s) and 6 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 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
The CAS number of 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is 708995-61-3.
What is the molecular formula of 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
The molecular formula of 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is C21H22BrN3O3S.
What is the molecular weight of 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
The molecular weight of 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone is 475.06 g/mol.
Where can I buy 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
You can request a quote for 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-2-({5-[(2-ethoxy-4-methylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.