3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole
TL;DR: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole (CAS 423730-41-0) is a chemical compound with molecular formula C22H16FN3O2S and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole
Also Known As: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole, 3-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole, 1,3-benzodioxol-5-ylmethyl 5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl sulfide, 3-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazole, Cambridge id 5924086
| Molecular Formula | C22H16FN3O2S |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 5.0944 |
| Topological Polar Surface Area | 49.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.09473 |
| Heavy Atoms | 29 |
| Complexity | 1163.9485 |
Chemical Identifiers
| CAS Number | 423730-41-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=CC=C5)F |
Product Overview
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole (CAS 423730-41-0), with molecular formula C22H16FN3O2S and molecular weight 405.09 g/mol. IUPAC: 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole
Property Insights of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole
The XLogP value of 5.0944 indicates that 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-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 49.17 Ų, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole?
The CAS number of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole is 423730-41-0.
What is the molecular formula of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole?
The molecular formula of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole is C22H16FN3O2S.
What is the molecular weight of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole?
The molecular weight of 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole is 405.09 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole?
You can request a quote for 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-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-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(3-fluorophenyl)-4-phenyl-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.