(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate (CAS 452938-20-4) is a chemical compound with molecular formula C21H15N3O3 and molecular weight 357.11 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 4-phenylbenzoate
Also Known As: F0624-0073, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl [1,1'-biphenyl]-4-carboxylate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl [1,1'-biphenyl]-4-carboxylate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 4-biphenylcarboxylate
| Molecular Formula | C21H15N3O3 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | 3.273 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.11133 |
| Heavy Atoms | 27 |
| Complexity | 1152.6305 |
Chemical Identifiers
| CAS Number | 452938-20-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate (CAS 452938-20-4), with molecular formula C21H15N3O3 and molecular weight 357.11 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate
The XLogP value of 3.273 indicates that (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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 4-phenylbenzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate 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 4-phenylbenzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate is 452938-20-4.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate is C21H15N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate is 357.11 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate 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 4-phenylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-phenylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.