(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate (CAS 451515-72-3) is a chemical compound with molecular formula C11H11N3O4 and molecular weight 249.07 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 2-methoxyacetate
Also Known As: ChemDiv3_008962, SDCCGMLS-0055704.P002, IDI1_026872, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate, (4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl methoxyacetate
| Molecular Formula | C11H11N3O4 |
|---|---|
| Molecular Weight | 249.07 g/mol |
| LogP | -0.0614 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.07495 |
| Heavy Atoms | 18 |
| Complexity | 622.9596 |
Chemical Identifiers
| CAS Number | 451515-72-3 |
|---|---|
| SMILES | COCC(=O)OCN1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate (CAS 451515-72-3), with molecular formula C11H11N3O4 and molecular weight 249.07 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate
The XLogP value of -0.0614 indicates that (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate 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-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate is 451515-72-3.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate is C11H11N3O4.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate is 249.07 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate 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-methoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.