2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide
TL;DR: 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide (CAS 618441-43-3) is a chemical compound with molecular formula C14H19N5OS and molecular weight 305.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide
Also Known As: 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-yl)thio)-N-methyl-N-phenylacetamide, 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenyl-acetamide, 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide, 644-751-8, RefChem:448857
| Molecular Formula | C14H19N5OS |
|---|---|
| Molecular Weight | 305.13 g/mol |
| LogP | 1.8704 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.13104 |
| Heavy Atoms | 21 |
| Complexity | 611.08185 |
Chemical Identifiers
| CAS Number | 618441-43-3 |
|---|---|
| SMILES | CC(C)C1=NN=C(N1N)SCC(=O)N(C)C2=CC=CC=C2 |
Product Overview
2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide (CAS 618441-43-3), with molecular formula C14H19N5OS and molecular weight 305.13 g/mol. IUPAC: 2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-methyl-N-phenylacetamide.
Chemical Property Profile of 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide
Property Insights of 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide
The XLogP value of 1.8704 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide has 1 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-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide?
The CAS number of 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide is 618441-43-3.
What is the molecular formula of 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide?
The molecular formula of 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide is C14H19N5OS.
What is the molecular weight of 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide?
The molecular weight of 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide is 305.13 g/mol.
Where can I buy 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide?
You can request a quote for 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide 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-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Amino-5-isopropyl-4H-1,2,4-triazol-3-YL)thio)-N-methyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.