![3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one structure](/static/products/5212/52128-55-9.webp)
3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one (CAS 52128-55-9) is a chemical compound with molecular formula C14H10N4O3 and molecular weight 282.08 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) 2-aminobenzoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl) 2-aminobenzoate, 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one, 4-Oxo-1,2,3-benzotriazin-3(4H)-yl 2-aminobenzoate
| Molecular Formula | C14H10N4O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.0753 |
| Heavy Atoms | 21 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 52128-55-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)OC(=O)C3=CC=CC=C3N |
| InChIKey | REYLADQHIPNSDE-UHFFFAOYSA-N |
Product Overview
3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one (CAS 52128-55-9), with molecular formula C14H10N4O3 and molecular weight 282.08 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl) 2-aminobenzoate.
Chemical Property Profile of 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 3.2 indicates that 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one has 1 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 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one is 52128-55-9.
What is the molecular formula of 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one is C14H10N4O3.
What is the molecular weight of 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one is 282.08 g/mol.
Where can I buy 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-Aminobenzoyl)oxy]-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.