![({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene structure](/static/products/861/861147-90-2.png)
({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene
TL;DR: ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene (CAS 861147-90-2) is a chemical compound with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole
Also Known As: ({5-[(4-bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene, 3-((4-bromobenzyl)thio)-4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazole, 3-[(4-bromobenzyl)sulfanyl]-4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole, 3-{[(4-bromophenyl)methyl]sulfanyl}-4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazole
| Molecular Formula | C18H18BrN3OS |
|---|---|
| Molecular Weight | 403.04 g/mol |
| LogP | 4.9318 |
| Topological Polar Surface Area | 39.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.0354 |
| Heavy Atoms | 24 |
| Complexity | 774.7178 |
Chemical Identifiers
| CAS Number | 861147-90-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)Br)COC3=CC=CC=C3 |
Product Overview
({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene (CAS 861147-90-2), with molecular formula C18H18BrN3OS and molecular weight 403.04 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-4-ethyl-5-(phenoxymethyl)-1,2,4-triazole.
Chemical Property Profile of ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene
Property Insights of ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene
The XLogP value of 4.9318 indicates that ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.94 Ų, ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene has 0 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 ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene?
The CAS number of ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene is 861147-90-2.
What is the molecular formula of ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene?
The molecular formula of ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene is C18H18BrN3OS.
What is the molecular weight of ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene?
The molecular weight of ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene is 403.04 g/mol.
Where can I buy ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene?
You can request a quote for ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for ({5-[(4-Bromophenyl)methylthio]-4-ethyl-1,2,4-triazol-3-yl}methoxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.