![2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone structure](/static/products/6097/609792-69-0.webp)
2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
TL;DR: 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone (CAS 609792-69-0) is a chemical compound with molecular formula C24H18FN3O4S and molecular weight 463.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, F1379-0066, 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 2({5[(1,3benzodioxol5yloxy)methyl]4phenyl4h1,2,4triazol3yl}thio)1(4fluorophenyl)ethanone, 2-({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-fluorophenyl)ethanone
| Molecular Formula | C24H18FN3O4S |
|---|---|
| Molecular Weight | 463.10 g/mol |
| LogP | 4.6891 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 463.10022 |
| Heavy Atoms | 33 |
| Complexity | 1278.8763 |
Chemical Identifiers
| CAS Number | 609792-69-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)C5=CC=C(C=C5)F |
Product Overview
2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone (CAS 609792-69-0), with molecular formula C24H18FN3O4S and molecular weight 463.10 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yloxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
Property Insights of 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
The XLogP value of 4.6891 indicates that 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone has 0 hydrogen bond donor(s) and 7 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 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
The CAS number of 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is 609792-69-0.
What is the molecular formula of 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is C24H18FN3O4S.
What is the molecular weight of 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is 463.10 g/mol.
Where can I buy 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((benzo[d][1,3]dioxol-5-yloxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.