![ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate structure](/static/products/900/900884-48-2.png)
ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate
TL;DR: ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate (CAS 900884-48-2) is a chemical compound with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate
Also Known As: ethyl 3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate, ethyl 3-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)butanamido)benzoate, ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate
| Molecular Formula | C20H20N4O4 |
|---|---|
| Molecular Weight | 380.15 g/mol |
| LogP | 2.558 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.14847 |
| Heavy Atoms | 28 |
| Complexity | 1076.9888 |
Chemical Identifiers
| CAS Number | 900884-48-2 |
|---|---|
| SMILES | CCC(C(=O)NC1=CC=CC(=C1)C(=O)OCC)N2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate (CAS 900884-48-2), with molecular formula C20H20N4O4 and molecular weight 380.15 g/mol. IUPAC: ethyl 3-[2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]benzoate.
Chemical Property Profile of ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate
Property Insights of ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate
The XLogP value of 2.558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate has 1 hydrogen bond donor(s) and 6 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 ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate?
The CAS number of ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate is 900884-48-2.
What is the molecular formula of ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate?
The molecular formula of ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate is C20H20N4O4.
What is the molecular weight of ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate?
The molecular weight of ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate is 380.15 g/mol.
Where can I buy ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate?
You can request a quote for ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-{[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanoyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.