3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
TL;DR: 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole (CAS 573946-74-4) is a chemical compound with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(furan-2-yl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole, 3-(furan-2-yl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole, 4-allyl-3-(furan-2-yl)-5-((3-(trifluoromethyl)benzyl)thio)-4H-1,2,4-triazole, 5-(2-furyl)-4-prop-2-enyl-3-{[3-(trifluoromethyl)phenyl]methylthio}-1,2,4-tria zole, 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazole
| Molecular Formula | C17H14F3N3OS |
|---|---|
| Molecular Weight | 365.08 g/mol |
| LogP | 5.0352 |
| Topological Polar Surface Area | 43.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.08096 |
| Heavy Atoms | 25 |
| Complexity | 856.4028 |
Chemical Identifiers
| CAS Number | 573946-74-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CO3 |
Product Overview
3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole (CAS 573946-74-4), with molecular formula C17H14F3N3OS and molecular weight 365.08 g/mol. IUPAC: 3-(furan-2-yl)-4-prop-2-enyl-5-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
Property Insights of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole
The XLogP value of 5.0352 indicates that 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-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 43.85 Ų, 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?
The CAS number of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole is 573946-74-4.
What is the molecular formula of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?
The molecular formula of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole is C17H14F3N3OS.
What is the molecular weight of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?
The molecular weight of 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole is 365.08 g/mol.
Where can I buy 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?
You can request a quote for 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-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-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(furan-2-yl)-4-(prop-2-en-1-yl)-5-{[3-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.