2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide
TL;DR: 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide (CAS 879458-98-7) is a chemical compound with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide, 2-({4-amino-5-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3,5-dimethylphenyl)acetamide, 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide, 2-{4-amino-5-[3-(4-chlorophenyl)pyrazol-5-yl](1,2,4-triazol-3-ylthio)}-N-(3,5- dimethylphenyl)acetamide
| Molecular Formula | C21H20ClN7OS |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 4.05004 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.11386 |
| Heavy Atoms | 31 |
| Complexity | 1212.7666 |
Chemical Identifiers
| CAS Number | 879458-98-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2N)C3=CC(=NN3)C4=CC=C(C=C4)Cl)C |
Product Overview
2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide (CAS 879458-98-7), with molecular formula C21H20ClN7OS and molecular weight 453.11 g/mol. IUPAC: 2-[[4-amino-5-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dimethylphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide
Property Insights of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide
The XLogP value of 4.05004 indicates that 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide has 3 hydrogen bond donor(s) and 6 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-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is 879458-98-7.
What is the molecular formula of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is C21H20ClN7OS.
What is the molecular weight of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is 453.11 g/mol.
Where can I buy 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)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-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.