Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate
TL;DR: Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate (CAS 187245-35-8) is a chemical compound with molecular formula C15H18O5 and molecular weight 278.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxobutanoate
Also Known As: ethyl (2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxobutanoate, ETHYL 2-(4-HYDROXY-3-ETHOXYBENZYLIDENE)ACETOACETATE, Ethyl 2-[(3-ethoxy-4-hydroxy-phenyl)methylidene]-3-oxo-butanoate
| Molecular Formula | C15H18O5 |
|---|---|
| Molecular Weight | 278.12 g/mol |
| LogP | 2.3264 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.11542 |
| Heavy Atoms | 20 |
| Complexity | 531.0654 |
Chemical Identifiers
| CAS Number | 187245-35-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C(=O)C)/C(=O)OCC)O |
Product Overview
Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate (CAS 187245-35-8), with molecular formula C15H18O5 and molecular weight 278.12 g/mol. IUPAC: ethyl (2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate
Property Insights of Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate
The XLogP value of 2.3264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate. Following Lipinski's Rule of Five, Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate 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 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate?
The CAS number of Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate is 187245-35-8.
What is the molecular formula of Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate?
The molecular formula of Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate is C15H18O5.
What is the molecular weight of Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate?
The molecular weight of Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate is 278.12 g/mol.
Where can I buy Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate?
You can request a quote for Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)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-(4-hydroxy-3-ethoxybenzylidene)acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-hydroxy-3-ethoxybenzylidene)acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.