(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate (CAS 455292-88-3) 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 3-methylbenzoate
Also Known As: (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 3-methylbenzoate, F0624-0084
| Molecular Formula | C16H13N3O3 |
|---|---|
| Molecular Weight | 295.10 g/mol |
| LogP | 1.91442 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.0957 |
| Heavy Atoms | 22 |
| Complexity | 902.2767 |
Chemical Identifiers
| CAS Number | 455292-88-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate (CAS 455292-88-3), with molecular formula C16H13N3O3 and molecular weight 295.10 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate
The XLogP value of 1.91442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate. 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 3-methylbenzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate 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 3-methylbenzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate is 455292-88-3.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate is C16H13N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate is 295.10 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 3-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.