2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate
TL;DR: 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate (CAS 97609-01-3) is a chemical compound with molecular formula C9H6N3O3- and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate
Also Known As: 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate, (4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetic acid
| Molecular Formula | C9H6N3O3- |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | -1.4586 |
| Topological Polar Surface Area | 87.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.04091 |
| Heavy Atoms | 15 |
| Complexity | 576.06946 |
Chemical Identifiers
| CAS Number | 97609-01-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CC(=O)[O-] |
Product Overview
2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate (CAS 97609-01-3), with molecular formula C9H6N3O3- and molecular weight 204.04 g/mol. IUPAC: 2-(4-oxo-1,2,3-benzotriazin-3-yl)acetate.
Chemical Property Profile of 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate
Property Insights of 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate
The XLogP value of -1.4586 indicates that 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate. Following Lipinski's Rule of Five, 2-(4-Oxo-1,2,3-benzotriazin-3-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 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate?
The CAS number of 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate is 97609-01-3.
What is the molecular formula of 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate?
The molecular formula of 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate is C9H6N3O3-.
What is the molecular weight of 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate?
The molecular weight of 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate is 204.04 g/mol.
Where can I buy 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate?
You can request a quote for 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Oxo-1,2,3-benzotriazin-3-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.