3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 64908-56-1) is a chemical compound with molecular formula C14H9N3O3 and molecular weight 267.06 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) benzoate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl) benzoate, 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one, J1.695.261C, 4-Oxo-1,2,3-benzotriazin-3(4H)-yl benzoate, AI-204/31724064
| Molecular Formula | C14H9N3O3 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0644 |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 64908-56-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)ON2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | MHAJVGQBCLUABD-UHFFFAOYSA-N |
Product Overview
3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 64908-56-1), with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl) benzoate.
Chemical Property Profile of 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one 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 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one is 64908-56-1.
What is the molecular formula of 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one is C14H9N3O3.
What is the molecular weight of 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one is 267.06 g/mol.
Where can I buy 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-(Benzoyloxy)-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-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzoyloxy)-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.