(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate (CAS 454202-30-3) is a chemical compound with molecular formula C16H13N3O4 and molecular weight 311.09 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-methoxybenzoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3-methoxybenzoate, (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate, 3-methoxybenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester
| Molecular Formula | C16H13N3O4 |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | 1.6146 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.0906 |
| Heavy Atoms | 23 |
| Complexity | 920.34247 |
Chemical Identifiers
| CAS Number | 454202-30-3 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate (CAS 454202-30-3), with molecular formula C16H13N3O4 and molecular weight 311.09 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate
The XLogP value of 1.6146 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate. 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 3-methoxybenzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate 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 3-methoxybenzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate is 454202-30-3.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate is C16H13N3O4.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate is 311.09 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate 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-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.