![2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide structure](/static/products/5739/573937-91-4.webp)
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide
TL;DR: 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide (CAS 573937-91-4) is a chemical compound with molecular formula C17H15N5O3S and molecular weight 369.09 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-(1,3-benzodioxol-5-yl)acetamide
Also Known As: 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide, 2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(benzo[d][1,3]dioxol-5-yl)acetamide, 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide, N-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-(4-amino-5-phenyl(1,2,4-triazol-3-ylthi o))acetamide
| Molecular Formula | C17H15N5O3S |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | 2.1184 |
| Topological Polar Surface Area | 104.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.08957 |
| Heavy Atoms | 26 |
| Complexity | 944.82635 |
Chemical Identifiers
| CAS Number | 573937-91-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NN=C(N3N)C4=CC=CC=C4 |
Product Overview
2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide (CAS 573937-91-4), with molecular formula C17H15N5O3S and molecular weight 369.09 g/mol. IUPAC: 2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide.
Chemical Property Profile of 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide
Property Insights of 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide
The XLogP value of 2.1184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide. The TPSA of 104.29 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-1,3-benzodioxol-5-ylacetamide. Following Lipinski's Rule of Five, 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide has 2 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-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide?
The CAS number of 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide is 573937-91-4.
What is the molecular formula of 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide?
The molecular formula of 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide is C17H15N5O3S.
What is the molecular weight of 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide?
The molecular weight of 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide is 369.09 g/mol.
Where can I buy 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide?
You can request a quote for 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide 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-1,3-benzodioxol-5-ylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-benzodioxol-5-ylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.