![Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate structure](/static/products/488/488129-13-1.png)
Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate
TL;DR: Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate (CAS 488129-13-1) is a chemical compound with molecular formula C23H16N4O3S and molecular weight 428.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[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)acetyl]amino]benzoate
Also Known As: AN-919/40867037, methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate, methyl 4-(2-(acenaphtho[1,2-e][1,2,4]triazin-9-ylthio)acetamido)benzoate
| Molecular Formula | C23H16N4O3S |
|---|---|
| Molecular Weight | 428.09 g/mol |
| LogP | 4.1896 |
| Topological Polar Surface Area | 94.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.0943 |
| Heavy Atoms | 31 |
| Complexity | 1333.4906 |
Chemical Identifiers
| CAS Number | 488129-13-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C4=CC=CC5=C4C3=CC=C5)N=N2 |
Product Overview
Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate (CAS 488129-13-1), with molecular formula C23H16N4O3S and molecular weight 428.09 g/mol. IUPAC: methyl 4-[[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)acetyl]amino]benzoate.
Chemical Property Profile of Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate
Property Insights of Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate
The XLogP value of 4.1896 indicates that Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate has 1 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 Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate?
The CAS number of Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate is 488129-13-1.
What is the molecular formula of Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate?
The molecular formula of Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate is C23H16N4O3S.
What is the molecular weight of Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate?
The molecular weight of Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate is 428.09 g/mol.
Where can I buy Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate?
You can request a quote for Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-{[(acenaphtho[1,2-e][1,2,4]triazin-9-ylsulfanyl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.