![3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole structure](/static/products/900/900288-85-9.png)
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole
TL;DR: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole (CAS 900288-85-9) 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)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole
Also Known As: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole, 3-{[4-(tert-butyl)phenyl]methylthio}-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-tr iazole, 4-allyl-3-((4-(tert-butyl)benzyl)thio)-5-(4-fluorophenyl)-4H-1,2,4-triazole, 3-[(4-tert-butylbenzyl)sulfanyl]-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 3-{[(4-tert-butylphenyl)methyl]sulfanyl}-5-(4-fluorophenyl)-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 | 900288-85-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)F |
Product Overview
3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole (CAS 900288-85-9), with molecular formula C22H24FN3S and molecular weight 381.17 g/mol. IUPAC: 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole
Property Insights of 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole
The XLogP value of 5.86 indicates that 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-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)methylsulfanyl]-5-(4-fluorophenyl)-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)methylsulfanyl]-5-(4-fluorophenyl)-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)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole?
The CAS number of 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole is 900288-85-9.
What is the molecular formula of 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole?
The molecular formula of 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole is C22H24FN3S.
What is the molecular weight of 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole?
The molecular weight of 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole is 381.17 g/mol.
Where can I buy 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole?
You can request a quote for 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-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)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-tert-butylphenyl)methylsulfanyl]-5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.