2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide
TL;DR: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 879477-80-2) is a chemical compound with molecular formula C14H14ClN7OS and molecular weight 363.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide
Also Known As: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide, 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide, 2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-(3-chlorophenyl )acetamide, 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chlorophenyl)acetamide
| Molecular Formula | C14H14ClN7OS |
|---|---|
| Molecular Weight | 363.07 g/mol |
| LogP | 2.07462 |
| Topological Polar Surface Area | 114.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.0669 |
| Heavy Atoms | 24 |
| Complexity | 875.6426 |
Chemical Identifiers
| CAS Number | 879477-80-2 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC(=CC=C3)Cl |
Product Overview
2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide (CAS 879477-80-2), with molecular formula C14H14ClN7OS and molecular weight 363.07 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chlorophenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide
Property Insights of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide
The XLogP value of 2.07462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide. The TPSA of 114.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide is 879477-80-2.
What is the molecular formula of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide is C14H14ClN7OS.
What is the molecular weight of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide is 363.07 g/mol.
Where can I buy 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
You can request a quote for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.