3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one (CAS 165534-43-0) is a chemical compound with molecular formula C11H14N3O5P and molecular weight 299.0671 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl (4-oxo-1,2,3-benzotriazin-3-yl) phosphate
Also Known As: DEPBT, fosinopril, 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one, DEPBT cpd, Diethyl (4-oxobenzo[d][1,2,3]triazin-3(4H)-yl) phosphate
Technical Specifications
| Molecular Formula | C11H14N3O5P |
| Molecular Weight | 299.0671 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 89.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.0671 Da |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
| SMILES | CCOP(=O)(OCC)ON1C(=O)C2=CC=CC=C2N=N1 |
| InChIKey | AJDPNPAGZMZOMN-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one. The TPSA of 89.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one is 165534-43-0.
What is the molecular formula of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one is C11H14N3O5P.
What is the molecular weight of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one is 299.0671 g/mol.
Where can I buy 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one?
Yes, CoreyChem provides custom synthesis services for 3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.