![Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate structure](/static/products/880/880810-77-5.png)
Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
TL;DR: Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate (CAS 880810-77-5) is a chemical compound with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
Also Known As: VU0612063-1, ethyl 3-[3-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)propanamido]benzoate, F3351-0326, ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate, ethyl 3-[3-(4-oxobenzo[d]1,2,3-triazin-3-yl)propanoylamino]benzoate
| Molecular Formula | C19H18N4O4 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 1.997 |
| Topological Polar Surface Area | 103.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1328 |
| Heavy Atoms | 27 |
| Complexity | 1045.0591 |
Chemical Identifiers
| CAS Number | 880810-77-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate (CAS 880810-77-5), with molecular formula C19H18N4O4 and molecular weight 366.13 g/mol. IUPAC: ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate.
Chemical Property Profile of Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
Property Insights of Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
The XLogP value of 1.997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate. The TPSA of 103.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]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-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate?
The CAS number of Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate is 880810-77-5.
What is the molecular formula of Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate?
The molecular formula of Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate is C19H18N4O4.
What is the molecular weight of Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate?
The molecular weight of Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate is 366.13 g/mol.
Where can I buy Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate?
You can request a quote for Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]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-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.