![Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate structure](/static/products/876/87604-94-2.png)
Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate
TL;DR: Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate (CAS 87604-94-2) is a chemical compound with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-acetylanilino)diazenyl]acetate
Also Known As: ethyl 2-[(2-acetylanilino)diazenyl]acetate, Ethyl 2-[(2-acetylphenyl)amino]diazenylacetate, 1-(2'-acetylphenyl)-3-ethoxycarbonylmethyltriazene, Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate
| Molecular Formula | C12H15N3O3 |
|---|---|
| Molecular Weight | 249.11 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 80.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.11134 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 87604-94-2 |
|---|---|
| SMILES | CCOC(=O)CN=NNC1=CC=CC=C1C(=O)C |
| InChIKey | JSKADQNMVRRCKP-UHFFFAOYSA-N |
Product Overview
Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate (CAS 87604-94-2), with molecular formula C12H15N3O3 and molecular weight 249.11 g/mol. IUPAC: ethyl 2-[(2-acetylanilino)diazenyl]acetate.
Chemical Property Profile of Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate
Property Insights of Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate
The XLogP value of 3.0 indicates that Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate. Following Lipinski's Rule of Five, Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate 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 [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate?
The CAS number of Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate is 87604-94-2.
What is the molecular formula of Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate?
The molecular formula of Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate is C12H15N3O3.
What is the molecular weight of Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate?
The molecular weight of Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate is 249.11 g/mol.
Where can I buy Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate?
You can request a quote for Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl [(1E)-3-(2-acetylphenyl)triaz-1-en-1-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.