![(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate structure](/static/products/4319/431981-46-3.webp)
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate
TL;DR: (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate (CAS 431981-46-3) is a chemical compound with molecular formula C15H10FN3O3 and molecular weight 299.07 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 4-fluorobenzoate
Also Known As: SDCCGSBI-0661430.P001, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-fluorobenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 4-fluorobenzoate, F0624-0038
| Molecular Formula | C15H10FN3O3 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.07062 |
| Heavy Atoms | 22 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 431981-46-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)F |
| InChIKey | XCDRCDTXOVLNAU-UHFFFAOYSA-N |
Product Overview
(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate (CAS 431981-46-3), with molecular formula C15H10FN3O3 and molecular weight 299.07 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-fluorobenzoate.
Chemical Property Profile of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate
Property Insights of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate. Following Lipinski's Rule of Five, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate 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 4-fluorobenzoate?
The CAS number of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate is 431981-46-3.
What is the molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate?
The molecular formula of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate is C15H10FN3O3.
What is the molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate?
The molecular weight of (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate is 299.07 g/mol.
Where can I buy (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate?
You can request a quote for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate 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 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.