![3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole structure](/static/products/862/862118-10-3.png)
3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
TL;DR: 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole (CAS 862118-10-3) is a chemical compound with molecular formula C22H24FN3S and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole, 4-allyl-3-(4-(tert-butyl)phenyl)-5-((4-fluorobenzyl)thio)-4H-1,2,4-triazole, 5-[4-(tert-butyl)phenyl]-3-[(4-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-tr iazole, 3-(4-tert-butylphenyl)-5-[(4-fluorobenzyl)sulfanyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-(4-tert-butylphenyl)-5-{[(4-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
| Molecular Formula | C22H24FN3S |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 5.86 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1675 |
| Heavy Atoms | 27 |
| Complexity | 906.2261 |
Chemical Identifiers
| CAS Number | 862118-10-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)F |
Product Overview
3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole (CAS 862118-10-3), with molecular formula C22H24FN3S and molecular weight 381.17 g/mol. IUPAC: 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Property Insights of 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
The XLogP value of 5.86 indicates that 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-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, 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-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 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole?
The CAS number of 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole is 862118-10-3.
What is the molecular formula of 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole?
The molecular formula of 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole is C22H24FN3S.
What is the molecular weight of 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole?
The molecular weight of 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole is 381.17 g/mol.
Where can I buy 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole?
You can request a quote for 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-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 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.