![1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/6631/6631-44-3.webp)
1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 6631-44-3) is a chemical compound with molecular formula C16H12FN3OS and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone, AP-048/15614084, 4-phenyl-2H-3,4,5,6-tetrahydropyran-4-carbaldehyde, 1-(4-fluorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-fluorophenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)thio]ethanone
| Molecular Formula | C16H12FN3OS |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0685 |
| Heavy Atoms | 22 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 6631-44-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)F |
| InChIKey | LELGTAZIFDGUSF-UHFFFAOYSA-N |
Product Overview
1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 6631-44-3), with molecular formula C16H12FN3OS and molecular weight 313.07 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 4.0 indicates that 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone has 1 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-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone is 6631-44-3.
What is the molecular formula of 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone is C16H12FN3OS.
What is the molecular weight of 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone is 313.07 g/mol.
Where can I buy 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]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-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)-2-[(5-phenyl-1h-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.