![2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate structure](/static/products/837/83702-30-1.png)
2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate
TL;DR: 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate (CAS 83702-30-1) is a chemical compound with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-oxido-3-oxo-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl acetate
Also Known As: 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate, 2-[(1-oxido-3-oxo-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl acetate
| Molecular Formula | C12H13N3O5 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 97.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.0855 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 83702-30-1 |
|---|---|
| SMILES | CC(=O)OCCOCN1C2=CC=CC=C2[N+](=NC1=O)[O-] |
| InChIKey | GGLYVWUVBWOKQE-UHFFFAOYSA-N |
Product Overview
2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate (CAS 83702-30-1), with molecular formula C12H13N3O5 and molecular weight 279.09 g/mol. IUPAC: 2-[(1-oxido-3-oxo-1,2,4-benzotriazin-1-ium-4-yl)methoxy]ethyl acetate.
Chemical Property Profile of 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate
Property Insights of 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate. Following Lipinski's Rule of Five, 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl 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-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate?
The CAS number of 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate is 83702-30-1.
What is the molecular formula of 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate?
The molecular formula of 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate is C12H13N3O5.
What is the molecular weight of 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate?
The molecular weight of 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate is 279.09 g/mol.
Where can I buy 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate?
You can request a quote for 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,3-Dioxo-1lambda~5~,2,4-benzotriazin-4(3H)-yl)methoxy]ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.