(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate (CAS 453552-48-2) is a chemical compound with molecular formula C16H13N3O3 and molecular weight 295.10 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 2-phenylacetate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate, (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-phenylethanoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 2-phenylacetate, 2-phenylacetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.5349 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 859.144 |
Chemical Identifiers
| CAS Number | 453552-48-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate (CAS 453552-48-2), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate
The XLogP value of 1.5349 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate. 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 2-phenylacetate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate 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 2-phenylacetate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate is 453552-48-2.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate is C16H13N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate is 295.10 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate 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 2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.