2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
TL;DR: 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone (CAS 854138-75-3) is a chemical compound with molecular formula C20H18FN3O2S and molecular weight 383.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, 1-(4-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-fluorophenyl)-2-{[5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C20H18FN3O2S |
|---|---|
| Molecular Weight | 383.11 g/mol |
| LogP | 4.2538 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.11038 |
| Heavy Atoms | 27 |
| Complexity | 936.8656 |
Chemical Identifiers
| CAS Number | 854138-75-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)C3=CC=C(C=C3)F |
Product Overview
2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone (CAS 854138-75-3), with molecular formula C20H18FN3O2S and molecular weight 383.11 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
Property Insights of 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone
The XLogP value of 4.2538 indicates that 2-((4-allyl-5-(4-methoxyphenyl)-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. With a topological polar surface area (TPSA) of 57.01 Ų, 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone has 0 hydrogen bond donor(s) and 5 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-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
The CAS number of 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is 854138-75-3.
What is the molecular formula of 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is C20H18FN3O2S.
What is the molecular weight of 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone is 383.11 g/mol.
Where can I buy 2-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-((4-allyl-5-(4-methoxyphenyl)-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-((4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-allyl-5-(4-methoxyphenyl)-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.