2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
TL;DR: 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 538337-92-7) is a chemical compound with molecular formula C24H20FN3O2S and molecular weight 433.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-{[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-fluorophenyl)ethanone, 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 1-(4-fluorophenyl)-2-[4-benzyl-5-(phenoxymethyl)(1,2,4-triazol-3-ylthio)]ethan -1-one, 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone, 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
| Molecular Formula | C24H20FN3O2S |
|---|---|
| Molecular Weight | 433.13 g/mol |
| LogP | 5.0195 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.12604 |
| Heavy Atoms | 31 |
| Complexity | 1132.7252 |
Chemical Identifiers
| CAS Number | 538337-92-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)COC4=CC=CC=C4 |
Product Overview
2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 538337-92-7), with molecular formula C24H20FN3O2S and molecular weight 433.13 g/mol. IUPAC: 2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
Property Insights of 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
The XLogP value of 5.0195 indicates that 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.01 Ų, 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone 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 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The CAS number of 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 538337-92-7.
What is the molecular formula of 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular formula of 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is C24H20FN3O2S.
What is the molecular weight of 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular weight of 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 433.13 g/mol.
Where can I buy 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
You can request a quote for 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.