![ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate structure](/static/products/848/848313-47-3.png)
ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate
TL;DR: ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate (CAS 848313-47-3) is a chemical compound with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate
Also Known As: EiM08-08387, AB00738740-01, ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate, ethyl 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate, ethyl 4-(2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamido)benzoate
| Molecular Formula | C18H16N4O4 |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 1.6069 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.11716 |
| Heavy Atoms | 26 |
| Complexity | 1011.6249 |
Chemical Identifiers
| CAS Number | 848313-47-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate (CAS 848313-47-3), with molecular formula C18H16N4O4 and molecular weight 352.12 g/mol. IUPAC: ethyl 4-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate
Property Insights of ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate
The XLogP value of 1.6069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]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 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate?
The CAS number of ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate is 848313-47-3.
What is the molecular formula of ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate?
The molecular formula of ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate is C18H16N4O4.
What is the molecular weight of ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate?
The molecular weight of ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate is 352.12 g/mol.
Where can I buy ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate?
You can request a quote for ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]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 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.