2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide
TL;DR: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide (CAS 879446-14-7) is a chemical compound with molecular formula C21H21N7O2S and molecular weight 435.15 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-(4-phenylmethoxyphenyl)acetamide
Also Known As: 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide, 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide, 2-[4-amino-5-(3-methylpyrazol-5-yl)(1,2,4-triazol-3-ylthio)]-N-[4-(phenylmetho xy)phenyl]acetamide, 2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(benzyloxy)phenyl]acetamide
| Molecular Formula | C21H21N7O2S |
|---|---|
| Molecular Weight | 435.15 g/mol |
| LogP | 3.00022 |
| Topological Polar Surface Area | 123.74 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 435.14774 |
| Heavy Atoms | 31 |
| Complexity | 1156.2072 |
Chemical Identifiers
| CAS Number | 879446-14-7 |
|---|---|
| SMILES | CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4 |
Product Overview
2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide (CAS 879446-14-7), with molecular formula C21H21N7O2S and molecular weight 435.15 g/mol. IUPAC: 2-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide.
Chemical Property Profile of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide
Property Insights of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide
The XLogP value of 3.00022 indicates that 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)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-(4-(benzyloxy)phenyl)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-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide?
The CAS number of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide is 879446-14-7.
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-(4-(benzyloxy)phenyl)acetamide?
The molecular formula of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide is C21H21N7O2S.
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-(4-(benzyloxy)phenyl)acetamide?
The molecular weight of 2-((4-amino-5-(3-methyl-1H-pyrazol-5-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(benzyloxy)phenyl)acetamide is 435.15 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-(4-(benzyloxy)phenyl)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-(4-(benzyloxy)phenyl)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-(4-(benzyloxy)phenyl)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-(4-(benzyloxy)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.