![3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole structure](/static/products/853/853088-73-0.png)
3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
TL;DR: 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole (CAS 853088-73-0) is a chemical compound with molecular formula C18H15F2N3S and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
Also Known As: 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 4-allyl-3-((3-fluorobenzyl)thio)-5-(4-fluorophenyl)-4H-1,2,4-triazole, 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole, 3-[(3-fluorobenzyl)sulfanyl]-5-(4-fluorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole, 5-(4-fluorophenyl)-3-[(3-fluorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazole
| Molecular Formula | C18H15F2N3S |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | 4.7016 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 343.0955 |
| Heavy Atoms | 24 |
| Complexity | 843.72516 |
Chemical Identifiers
| CAS Number | 853088-73-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC(=CC=C2)F)C3=CC=C(C=C3)F |
Product Overview
3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole (CAS 853088-73-0), with molecular formula C18H15F2N3S and molecular weight 343.10 g/mol. IUPAC: 3-(4-fluorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole.
Chemical Property Profile of 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
Property Insights of 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole
The XLogP value of 4.7016 indicates that 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-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-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 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 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
The CAS number of 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole is 853088-73-0.
What is the molecular formula of 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
The molecular formula of 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole is C18H15F2N3S.
What is the molecular weight of 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
The molecular weight of 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole is 343.10 g/mol.
Where can I buy 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
You can request a quote for 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-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-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-fluorophenyl)-5-{[(3-fluorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.