2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332911-17-8) is a chemical compound with molecular formula C17H15ClN4O2S and molecular weight 374.06042 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: BAS 01816559, 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-[5-(4-Chloro-phenoxymethyl)-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetamide
Technical Specifications
| Molecular Formula | C17H15ClN4O2S |
| Molecular Weight | 374.06042 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 374.06042 Da |
| Heavy Atoms | 25 |
| Complexity | 431.0 |
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)COC3=CC=C(C=C3)Cl |
| InChIKey | RCLDLDWOZXQNOT-UHFFFAOYSA-N |
Chemical Property Profile of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 3.0 indicates that 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide 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
What is the CAS number of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 332911-17-8.
What is the molecular formula of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is C17H15ClN4O2S.
What is the molecular weight of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 374.06042 g/mol.
Where can I buy 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.