(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate (CAS 453520-66-6) 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 3-fluorobenzoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3-fluorobenzoate, F0624-0037, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate
| Molecular Formula | C15H10FN3O3 |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | 1.7451 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.07062 |
| Heavy Atoms | 22 |
| Complexity | 907.6733 |
Chemical Identifiers
| CAS Number | 453520-66-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC(=CC=C3)F |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate (CAS 453520-66-6), with molecular formula C15H10FN3O3 and molecular weight 299.07 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate
The XLogP value of 1.7451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate 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-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate is 453520-66-6.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate is C15H10FN3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate is 299.07 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.