![(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate structure](/static/products/4535/453550-46-4.webp)
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate
TL;DR: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate (CAS 453550-46-4) is a chemical compound with molecular formula C17H15N3O3 and molecular weight 309.11 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 3,5-dimethylbenzoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethylbenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate, F0624-0039, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethylbenzoate
| Molecular Formula | C17H15N3O3 |
|---|---|
| Molecular Weight | 309.11 g/mol |
| LogP | 2.22284 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.11133 |
| Heavy Atoms | 23 |
| Complexity | 926.9616 |
Chemical Identifiers
| CAS Number | 453550-46-4 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)C |
Product Overview
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate (CAS 453550-46-4), with molecular formula C17H15N3O3 and molecular weight 309.11 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3,5-dimethylbenzoate.
Chemical Property Profile of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate
Property Insights of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate
The XLogP value of 2.22284 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate. Following Lipinski's Rule of Five, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate 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-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate?
The CAS number of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate is 453550-46-4.
What is the molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate?
The molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate is C17H15N3O3.
What is the molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate?
The molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate is 309.11 g/mol.
Where can I buy (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate?
You can request a quote for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate 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 3,5-dimethylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3,5-dimethylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.