![(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate structure](/static/products/4515/451513-76-1.webp)
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate
TL;DR: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate (CAS 451513-76-1) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenoxyacetate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenoxyacetate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate, F0624-0014, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-phenoxyacetate
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 80.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 451513-76-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | IKQKBJKOGHDVGX-UHFFFAOYSA-N |
Product Overview
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate (CAS 451513-76-1), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenoxyacetate.
Chemical Property Profile of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate
Property Insights of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate
The XLogP value of 3.3 indicates that (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate. Following Lipinski's Rule of Five, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate has 0 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 (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate?
The CAS number of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate is 451513-76-1.
What is the molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate?
The molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate is C16H13N3O4.
What is the molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate?
The molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate is 311.09 g/mol.
Where can I buy (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate?
You can request a quote for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.