2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide
TL;DR: 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide (CAS 811469-59-7) is a chemical compound with molecular formula C20H22ClN5OS and molecular weight 415.12335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide
Also Known As: 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide, 2-{[4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-butylphenyl)acetamide, F2715-0416, 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide, 2-[4-amino-5-(4-chlorophenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide
Technical Specifications
| Molecular Formula | C20H22ClN5OS |
| Molecular Weight | 415.12335 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 415.12335 Da |
| Heavy Atoms | 28 |
| Complexity | 483.0 |
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl |
| InChIKey | PMGQVUYWXOOHAM-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide
Property Insights of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide
The XLogP value of 5.1 indicates that 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide?
The CAS number of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide is 811469-59-7.
What is the molecular formula of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide?
The molecular formula of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide is C20H22ClN5OS.
What is the molecular weight of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide?
The molecular weight of 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide is 415.12335 g/mol.
Where can I buy 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide?
You can request a quote for 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.