![2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide structure](/static/products/488/488809-91-2.png)
2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide
TL;DR: 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide (CAS 488809-91-2) is a chemical compound with molecular formula C22H13N5OS and molecular weight 395.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-cyanophenyl)-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-(4-cyanophenyl)acetamide, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)-N-(4-cyanophenyl)acetamide
| Molecular Formula | C22H13N5OS |
|---|---|
| Molecular Weight | 395.08 g/mol |
| LogP | 4.27468 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.08408 |
| Heavy Atoms | 29 |
| Complexity | 1306.086 |
Chemical Identifiers
| CAS Number | 488809-91-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4=C(C3=CC=C2)N=NC(=N4)SCC(=O)NC5=CC=C(C=C5)C#N |
Product Overview
2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide (CAS 488809-91-2), with molecular formula C22H13N5OS and molecular weight 395.08 g/mol. IUPAC: N-(4-cyanophenyl)-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-(4-cyanophenyl)acetamide
Property Insights of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide
The XLogP value of 4.27468 indicates that 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide. Following Lipinski's Rule of Five, 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-(4-cyanophenyl)acetamide?
The CAS number of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide is 488809-91-2.
What is the molecular formula of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide?
The molecular formula of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide is C22H13N5OS.
What is the molecular weight of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide?
The molecular weight of 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide is 395.08 g/mol.
Where can I buy 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide?
You can request a quote for 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide 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-(4-cyanophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)-N-(4-cyanophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.