![2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide structure](/static/products/488/488800-98-2.png)
2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide
TL;DR: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide (CAS 488800-98-2) is a chemical compound with molecular formula C23H18N4OS and molecular weight 398.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-phenylethyl)-2-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)acetamide
Also Known As: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N-(2-phenylethyl)acetamide
| Molecular Formula | C23H18N4OS |
|---|---|
| Molecular Weight | 398.12 g/mol |
| LogP | 4.1232 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.12012 |
| Heavy Atoms | 29 |
| Complexity | 1204.8943 |
Chemical Identifiers
| CAS Number | 488800-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C4=CC=CC5=C4C3=CC=C5)N=N2 |
Product Overview
2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide (CAS 488800-98-2), with molecular formula C23H18N4OS and molecular weight 398.12 g/mol. IUPAC: N-(2-phenylethyl)-2-(11,12,14-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10(15),11,13-octaen-13-ylsulfanyl)acetamide.
Chemical Property Profile of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide
Property Insights of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide
The XLogP value of 4.1232 indicates that 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide. Following Lipinski's Rule of Five, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide 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-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide?
The CAS number of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide is 488800-98-2.
What is the molecular formula of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide?
The molecular formula of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide is C23H18N4OS.
What is the molecular weight of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide?
The molecular weight of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide is 398.12 g/mol.
Where can I buy 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide?
You can request a quote for 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-phenethylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.