(4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
TL;DR: (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone (CAS 694461-50-2) 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.
(4-fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
Also Known As: AE-848/42278441, (4-fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone, 1-(4-fluorobenzoyl)-3-phenyl-1H-1,2,4-triazol-5-ylmethylsulfide
| Molecular Formula | C16H12FN3OS |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 3.4946 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0685 |
| Heavy Atoms | 22 |
| Complexity | 800.01807 |
Chemical Identifiers
| CAS Number | 694461-50-2 |
|---|---|
| SMILES | CSC1=NC(=NN1C(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3 |
Product Overview
(4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone (CAS 694461-50-2), with molecular formula C16H12FN3OS and molecular weight 313.07 g/mol. IUPAC: (4-fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone.
Chemical Property Profile of (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
Property Insights of (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone
The XLogP value of 3.4946 indicates that (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone 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 (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The CAS number of (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone is 694461-50-2.
What is the molecular formula of (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The molecular formula of (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone is C16H12FN3OS.
What is the molecular weight of (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
The molecular weight of (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone is 313.07 g/mol.
Where can I buy (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
You can request a quote for (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-Fluorophenyl)-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.