(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate (CAS 481661-69-2) is a chemical compound with molecular formula C19H19N3O4 and molecular weight 353.14 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 4-butoxybenzoate
Also Known As: F0624-0094, (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate, (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)methyl 4-butoxybenzoate, (4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)methyl p-butoxybenzoate
| Molecular Formula | C19H19N3O4 |
|---|---|
| Molecular Weight | 353.14 g/mol |
| LogP | 2.7849 |
| Topological Polar Surface Area | 83.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 353.13754 |
| Heavy Atoms | 26 |
| Complexity | 950.9055 |
Chemical Identifiers
| CAS Number | 481661-69-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate (CAS 481661-69-2), with molecular formula C19H19N3O4 and molecular weight 353.14 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate
The XLogP value of 2.7849 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate. 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 4-butoxybenzoate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate 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 4-butoxybenzoate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate is 481661-69-2.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate is C19H19N3O4.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate is 353.14 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate 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 4-butoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.