1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 496775-87-2) is a chemical compound with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, F1280-0005, 1-(4-fluorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, A3577/0151842, 1-(4-fluorophenyl)-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C16H13FN4OS |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 2.9912 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.0794 |
| Heavy Atoms | 23 |
| Complexity | 817.85645 |
Chemical Identifiers
| CAS Number | 496775-87-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)F)C3=CC=NC=C3 |
Product Overview
1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 496775-87-2), with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 2.9912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)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 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 496775-87-2.
What is the molecular formula of 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C16H13FN4OS.
What is the molecular weight of 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 328.08 g/mol.
Where can I buy 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.