2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamide
TL;DR: 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamide (CAS 879446-78-3) is a chemical compound with molecular formula C21H20FN7O2S and molecular weight 453.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)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-methoxy-5-methylphenyl)acetamide, 2-({4-amino-5-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxy-5-methylphenyl)acetamide, 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide, 2-{4-amino-5-[3-(4-fluorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(2-me thoxy-5-methylphenyl)acetamide
| Molecular Formula | C21H20FN7O2S |
|---|---|
| Molecular Weight | 453.14 g/mol |
| LogP | 3.23592 |
| Topological Polar Surface Area | 123.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.13834 |
| Heavy Atoms | 32 |
| Complexity | 1253.529 |
Chemical Identifiers
| CAS Number | 879446-78-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)F |
Product Overview
2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamide (CAS 879446-78-3), with molecular formula C21H20FN7O2S and molecular weight 453.14 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide.
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-methoxy-5-methylphenyl)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-methoxy-5-methylphenyl)acetamide
The XLogP value of 3.23592 indicates that 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-(4-fluorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-methoxy-5-methylphenyl)acetamide. 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-methoxy-5-methylphenyl)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
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-methoxy-5-methylphenyl)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-methoxy-5-methylphenyl)acetamide is 879446-78-3.
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-methoxy-5-methylphenyl)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-methoxy-5-methylphenyl)acetamide is C21H20FN7O2S.
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-methoxy-5-methylphenyl)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-methoxy-5-methylphenyl)acetamide is 453.14 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-methoxy-5-methylphenyl)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-methoxy-5-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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-methoxy-5-methylphenyl)acetamide?
Yes, KEHONG BIO 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-methoxy-5-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.