![5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole structure](/static/products/3485/348593-15-7.webp)
5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole
TL;DR: 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole (CAS 348593-15-7) is a chemical compound with molecular formula C25H24BrN3S and molecular weight 477.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole
Also Known As: A2679/0114170, 5-[4-(tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole, 3-((4-bromobenzyl)thio)-5-(4-(tert-butyl)phenyl)-4-phenyl-4H-1,2,4-triazole, 3-[(4-bromobenzyl)sulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole, 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole
| Molecular Formula | C25H24BrN3S |
|---|---|
| Molecular Weight | 477.09 g/mol |
| LogP | 7.2866 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 477.08743 |
| Heavy Atoms | 30 |
| Complexity | 1112.0299 |
Chemical Identifiers
| CAS Number | 348593-15-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)Br |
Product Overview
5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole (CAS 348593-15-7), with molecular formula C25H24BrN3S and molecular weight 477.09 g/mol. IUPAC: 3-[(4-bromophenyl)methylsulfanyl]-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole
Property Insights of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole
The XLogP value of 7.2866 indicates that 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole?
The CAS number of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole is 348593-15-7.
What is the molecular formula of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole?
The molecular formula of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole is C25H24BrN3S.
What is the molecular weight of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole?
The molecular weight of 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole is 477.09 g/mol.
Where can I buy 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole?
You can request a quote for 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(Tert-butyl)phenyl]-3-[(4-bromophenyl)methylthio]-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.