![N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide structure](/static/products/6945/694507-53-4.webp)
N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
TL;DR: N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide (CAS 694507-53-4) is a chemical compound with molecular formula C25H22ClFN4OS and molecular weight 480.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide, N-(3-chloro-4-fluorophenyl)-2-{[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio}acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C25H22ClFN4OS |
|---|---|
| Molecular Weight | 480.12 g/mol |
| LogP | 5.88422 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 480.11868 |
| Heavy Atoms | 33 |
| Complexity | 1262.5139 |
Chemical Identifiers
| CAS Number | 694507-53-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=CC(=C(C=C3)F)Cl)CCC4=CC=CC=C4 |
Product Overview
N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide (CAS 694507-53-4), with molecular formula C25H22ClFN4OS and molecular weight 480.12 g/mol. IUPAC: N-(3-chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
Property Insights of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
The XLogP value of 5.88422 indicates that N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
The CAS number of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is 694507-53-4.
What is the molecular formula of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
The molecular formula of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is C25H22ClFN4OS.
What is the molecular weight of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
The molecular weight of N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is 480.12 g/mol.
Where can I buy N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
You can request a quote for N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-4-fluorophenyl)-2-[[4-(3-methylphenyl)-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.