2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide
TL;DR: 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide (CAS 326003-69-4) is a chemical compound with molecular formula C17H25N5OS and molecular weight 347.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide
Also Known As: 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide, 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide, 2-[(4-amino-5-butyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-(propan-2-yl)acetamide
| Molecular Formula | C17H25N5OS |
|---|---|
| Molecular Weight | 347.18 g/mol |
| LogP | 2.8682 |
| Topological Polar Surface Area | 77.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.17798 |
| Heavy Atoms | 24 |
| Complexity | 656.25543 |
Chemical Identifiers
| CAS Number | 326003-69-4 |
|---|---|
| SMILES | CCCCC1=NN=C(N1N)SCC(=O)N(C2=CC=CC=C2)C(C)C |
Product Overview
2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide (CAS 326003-69-4), with molecular formula C17H25N5OS and molecular weight 347.18 g/mol. IUPAC: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-N-propan-2-ylacetamide.
Chemical Property Profile of 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide
Property Insights of 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide
The XLogP value of 2.8682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide. The TPSA of 77.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide. Following Lipinski's Rule of Five, 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-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-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide?
The CAS number of 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide is 326003-69-4.
What is the molecular formula of 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide?
The molecular formula of 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide is C17H25N5OS.
What is the molecular weight of 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide?
The molecular weight of 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide is 347.18 g/mol.
Where can I buy 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide?
You can request a quote for 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-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-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-amino-5-butyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.