methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate
TL;DR: methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate (CAS 102117-93-1) 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.
methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
Also Known As: methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate, methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate, Methyl 2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetate, 4-methyl-2-(3-chloro-2-propenyl)phenol, 1,2,3-Benzotriazine-3(4H)-acetic acid, 4-oxo-, methyl ester
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | -0.0355 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 591.1241 |
Chemical Identifiers
| CAS Number | 102117-93-1 |
|---|---|
| SMILES | COC(=O)CN1C(=O)C2=CC=CC=C2N=N1 |
Product Overview
methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate (CAS 102117-93-1), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: methyl 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.
Chemical Property Profile of methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate
Property Insights of methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate
The XLogP value of -0.0355 indicates that methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate. Following Lipinski's Rule of Five, methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)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 methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate?
The CAS number of methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate is 102117-93-1.
What is the molecular formula of methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate?
The molecular formula of methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate is C10H9N3O3.
What is the molecular weight of methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate?
The molecular weight of methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate is 219.06 g/mol.
Where can I buy methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate?
You can request a quote for methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.