![Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate structure](/static/products/3003/300388-96-9.webp)
Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
TL;DR: Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate (CAS 300388-96-9) is a chemical compound with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
Also Known As: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate, ethyl 4-(2-benzotriazolylacetylamino)benzoate, ethyl 4-(2-(1H-benzo[d][1,2,3]triazol-1-yl)acetamido)benzoate, ethyl 4-[(1H-benzotriazol-1-ylacetyl)amino]benzoate, ethyl p-{[(1H-1,2,3-benzotriazol-1-yl)methyl]carbonylamino}benzoate
| Molecular Formula | C17H16N4O3 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.12225 |
| Heavy Atoms | 24 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 300388-96-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=N2 |
| InChIKey | IALXHXAVVZFRKL-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate (CAS 300388-96-9), with molecular formula C17H16N4O3 and molecular weight 324.12 g/mol. IUPAC: ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
Property Insights of Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate has 1 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 Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate?
The CAS number of Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate is 300388-96-9.
What is the molecular formula of Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate?
The molecular formula of Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate is C17H16N4O3.
What is the molecular weight of Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate?
The molecular weight of Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate is 324.12 g/mol.
Where can I buy Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate?
You can request a quote for Ethyl 4-[[2-(benzotriazol-1-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-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.