(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate (CAS 452965-75-2) is a chemical compound with molecular formula C22H17N3O3 and molecular weight 371.13 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 2,2-diphenylacetate
Also Known As: ChemDiv3_008960, IDI1_026870, AB00684672-01, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate
| Molecular Formula | C22H17N3O3 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 3.1243 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.12698 |
| Heavy Atoms | 28 |
| Complexity | 1118.2406 |
Chemical Identifiers
| CAS Number | 452965-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate (CAS 452965-75-2), with molecular formula C22H17N3O3 and molecular weight 371.13 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate
The XLogP value of 3.1243 indicates that (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate 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 2,2-diphenylacetate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate 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 2,2-diphenylacetate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate is 452965-75-2.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate is C22H17N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate is 371.13 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate 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 2,2-diphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2,2-diphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.