1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one
TL;DR: 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one (CAS 565415-03-4) is a chemical compound with molecular formula C15H11BrFN3OS2 and molecular weight 410.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromothiophen-2-yl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one, 1-(5-bromothiophen-2-yl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(5-bromothiophen-2-yl)-2-{[5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(5-bromo-2-thienyl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(5-bromothiophen-2-yl)-2-{[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C15H11BrFN3OS2 |
|---|---|
| Molecular Weight | 410.95 g/mol |
| LogP | 4.4202 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.9511 |
| Heavy Atoms | 23 |
| Complexity | 844.7865 |
Chemical Identifiers
| CAS Number | 565415-03-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(S2)Br)C3=CC=C(C=C3)F |
Product Overview
1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one (CAS 565415-03-4), with molecular formula C15H11BrFN3OS2 and molecular weight 410.95 g/mol. IUPAC: 1-(5-bromothiophen-2-yl)-2-[[5-(4-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one
Property Insights of 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one
The XLogP value of 4.4202 indicates that 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one 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 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one?
The CAS number of 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one is 565415-03-4.
What is the molecular formula of 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one?
The molecular formula of 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one is C15H11BrFN3OS2.
What is the molecular weight of 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one?
The molecular weight of 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one is 410.95 g/mol.
Where can I buy 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one?
You can request a quote for 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.