Ethyl 2-(phenylazo)acetoacetate
TL;DR: Ethyl 2-(phenylazo)acetoacetate (CAS 5462-33-9) is a chemical compound with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-2-phenyldiazenylbutanoate
Also Known As: Ethyl 2-(phenylazo)acetoacetate, Ethyl 2-phenylazoacetoacetate, Phenyl-azo-acetessigester, ethyl phenylazoacetoacetate, ethyl 3-oxo-2-phenyldiazenylbutanoate
| Molecular Formula | C12H14N2O3 |
|---|---|
| Molecular Weight | 234.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 68.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.10045 |
| Heavy Atoms | 17 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 5462-33-9 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)N=NC1=CC=CC=C1 |
| InChIKey | YBKOBYPTHJKDFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-(phenylazo)acetoacetate (CAS 5462-33-9), with molecular formula C12H14N2O3 and molecular weight 234.10 g/mol. IUPAC: ethyl 3-oxo-2-phenyldiazenylbutanoate.
Chemical Property Profile of Ethyl 2-(phenylazo)acetoacetate
Property Insights of Ethyl 2-(phenylazo)acetoacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(phenylazo)acetoacetate. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(phenylazo)acetoacetate. Following Lipinski's Rule of Five, Ethyl 2-(phenylazo)acetoacetate has 0 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 2-(phenylazo)acetoacetate?
The CAS number of Ethyl 2-(phenylazo)acetoacetate is 5462-33-9.
What is the molecular formula of Ethyl 2-(phenylazo)acetoacetate?
The molecular formula of Ethyl 2-(phenylazo)acetoacetate is C12H14N2O3.
What is the molecular weight of Ethyl 2-(phenylazo)acetoacetate?
The molecular weight of Ethyl 2-(phenylazo)acetoacetate is 234.10 g/mol.
Where can I buy Ethyl 2-(phenylazo)acetoacetate?
You can request a quote for Ethyl 2-(phenylazo)acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(phenylazo)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(phenylazo)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.