![4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate structure](/static/products/5212/52128-56-0.webp)
4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate
TL;DR: 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate (CAS 52128-56-0) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 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) acetate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl) acetate, 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate, 4-Oxo-1,2,3-benzotriazin-3(4H)-yl acetate, 1,2,3-BENZOTRIAZIN-4(3H)-ONE,3-(ACETYLOXY)-
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 52128-56-0 |
|---|---|
| SMILES | CC(=O)ON1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | BTPDCMDGRPYCQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate (CAS 52128-56-0), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl) acetate.
Chemical Property Profile of 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate
Property Insights of 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate. Following Lipinski's Rule of Five, 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate has 0 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 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate?
The CAS number of 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate is 52128-56-0.
What is the molecular formula of 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate?
The molecular formula of 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate is C9H7N3O3.
What is the molecular weight of 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate?
The molecular weight of 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate is 205.05 g/mol.
Where can I buy 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate?
You can request a quote for 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-4H-benzo[d][1,2,3]triazin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.