2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide
TL;DR: 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide (CAS 874783-06-9) is a chemical compound with molecular formula C17H17N5OS and molecular weight 339.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide
Also Known As: 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide, 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide, F2715-0125
| Molecular Formula | C17H17N5OS |
|---|---|
| Molecular Weight | 339.12 g/mol |
| LogP | 2.0674 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.1154 |
| Heavy Atoms | 24 |
| Complexity | 804.3629 |
Chemical Identifiers
| CAS Number | 874783-06-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3 |
Product Overview
2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide (CAS 874783-06-9), with molecular formula C17H17N5OS and molecular weight 339.12 g/mol. IUPAC: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-benzylacetamide.
Chemical Property Profile of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide
Property Insights of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide
The XLogP value of 2.0674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide has 2 hydrogen bond donor(s) and 5 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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
The CAS number of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide is 874783-06-9.
What is the molecular formula of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
The molecular formula of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide is C17H17N5OS.
What is the molecular weight of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
The molecular weight of 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide is 339.12 g/mol.
Where can I buy 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
You can request a quote for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide 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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.