2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
TL;DR: 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 618441-25-1) is a chemical compound with molecular formula C23H19FN4OS and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: 2-((5-(ANILINOMETHYL)-4-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-F-PH)ETHANONE, 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 1-(4-Fluorophenyl)-2-((4-phenyl-5-((phenylamino)methyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 644-805-0, RefChem:449605
| Molecular Formula | C23H19FN4OS |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 4.9935 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 1115.1754 |
Chemical Identifiers
| CAS Number | 618441-25-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)NCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)F |
Product Overview
2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 618441-25-1), with molecular formula C23H19FN4OS and molecular weight 418.13 g/mol. IUPAC: 2-[[5-(anilinomethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
Property Insights of 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
The XLogP value of 4.9935 indicates that 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)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 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The CAS number of 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 618441-25-1.
What is the molecular formula of 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular formula of 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is C23H19FN4OS.
What is the molecular weight of 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular weight of 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 418.13 g/mol.
Where can I buy 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
You can request a quote for 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(Anilinomethyl)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.