2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
TL;DR: 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 618441-24-0) is a chemical compound with molecular formula C23H18ClFN4OS and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone
Also Known As: SALOR-INT L443352-1EA, 2-((5-((4-CHLOROANILINO)ME)-4-PH-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-F-PH)ETHANONE, 2-((5-(((4-Chlorophenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-1-(4-fluorophenyl)ethanone, 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone, 644-806-6
| Molecular Formula | C23H18ClFN4OS |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 5.6469 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.0874 |
| Heavy Atoms | 31 |
| Complexity | 1164.673 |
Chemical Identifiers
| CAS Number | 618441-24-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)F)CNC4=CC=C(C=C4)Cl |
Product Overview
2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone (CAS 618441-24-0), with molecular formula C23H18ClFN4OS and molecular weight 452.09 g/mol. IUPAC: 2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
Property Insights of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone
The XLogP value of 5.6469 indicates that 2-((5-((4-Chloroanilino)ME)-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-((4-Chloroanilino)ME)-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-((4-Chloroanilino)ME)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The CAS number of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 618441-24-0.
What is the molecular formula of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular formula of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is C23H18ClFN4OS.
What is the molecular weight of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
The molecular weight of 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone is 452.09 g/mol.
Where can I buy 2-((5-((4-Chloroanilino)ME)-4-PH-4H-1,2,4-triazol-3-YL)thio)-1-(4-F-PH)ethanone?
You can request a quote for 2-((5-((4-Chloroanilino)ME)-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-((4-Chloroanilino)ME)-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-((4-Chloroanilino)ME)-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.