![1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one structure](/static/products/3260/326007-92-5.webp)
1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
TL;DR: 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one (CAS 326007-92-5) 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-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: BIM-0003560.P001, AB00726767-01, AF-399/14216009, 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one, 1-(4-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
| Molecular Formula | C16H12FN3OS |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 3.3814 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0685 |
| Heavy Atoms | 22 |
| Complexity | 771.59973 |
Chemical Identifiers
| CAS Number | 326007-92-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=NN=C2SCC(=O)C3=CC=C(C=C3)F |
Product Overview
1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one (CAS 326007-92-5), with molecular formula C16H12FN3OS and molecular weight 313.07 g/mol. IUPAC: 1-(4-fluorophenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
Property Insights of 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one
The XLogP value of 3.3814 indicates that 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one has 0 hydrogen bond donor(s) and 4 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-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one?
The CAS number of 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one is 326007-92-5.
What is the molecular formula of 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one?
The molecular formula of 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one is C16H12FN3OS.
What is the molecular weight of 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one?
The molecular weight of 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one is 313.07 g/mol.
Where can I buy 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one?
You can request a quote for 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-fluorophenyl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.