(4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate
TL;DR: (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate (CAS 384849-18-7) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 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)methyl acetate
Also Known As: (4-oxo-1,2,3-benzotriazin-3-yl)methyl acetate, BAS 03547980, Acetic acid 4-oxo-4H-benzo[d][1,2,3]triazin-3-ylmethyl ester, AB00395929-03, AF-399/37416010
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 384849-18-7 |
|---|---|
| SMILES | CC(=O)OCN1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | GQHJWXXULIZFSC-UHFFFAOYSA-N |
Product Overview
(4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate (CAS 384849-18-7), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: (4-oxo-1,2,3-benzotriazin-3-yl)methyl acetate.
Chemical Property Profile of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate
Property Insights of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate. Following Lipinski's Rule of Five, (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate 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 acetate?
The CAS number of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate is 384849-18-7.
What is the molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate?
The molecular formula of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate is C10H9N3O3.
What is the molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate?
The molecular weight of (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate is 219.06 g/mol.
Where can I buy (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate?
You can request a quote for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate 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 acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-1,2,3-benzotriazin-3-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.