2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
TL;DR: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide (CAS 1039031-06-5) is a chemical compound with molecular formula C21H20FN7OS and molecular weight 437.1434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide, 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,4-dimethylphenyl)acetamide, 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dimethylphenyl)acetamide, 2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(2,4- dimethylphenyl)acetamide
Technical Specifications
| Molecular Formula | C21H20FN7OS |
| Molecular Weight | 437.1434 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.1434 Da |
| Heavy Atoms | 31 |
| Complexity | 608.0 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F)C |
| InChIKey | CESDFQRBYADXTK-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
Property Insights of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
The XLogP value of 3.4 indicates that 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide has 3 hydrogen bond donor(s) and 7 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-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide is 1039031-06-5.
What is the molecular formula of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide is C21H20FN7OS.
What is the molecular weight of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide is 437.1434 g/mol.
Where can I buy 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.