(3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate
TL;DR: (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate (CAS 5467-88-9) is a chemical compound with molecular formula C19H18O5 and molecular weight 326.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate
Also Known As: [-2-ethoxycarbonyl-1-phenyl-ethenyl]4-methoxybenzoate|(3-ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate|3-ethoxy-3-oxo-1-phenylprop-1-en-1-yl 4-methoxybenzoate|MLS002639059|SMR001548512
| Molecular Formula | C19H18O5 |
|---|---|
| Molecular Weight | 326.12 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 326.11542 |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 5467-88-9 |
|---|---|
| SMILES | CCOC(=O)C=C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)OC |
| InChIKey | DGTBPTOAHLUKHZ-UHFFFAOYSA-N |
Product Overview
(3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate (CAS 5467-88-9), with molecular formula C19H18O5 and molecular weight 326.12 g/mol. IUPAC: (3-ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate.
Chemical Property Profile of (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate
Property Insights of (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate
The XLogP value of 3.7 indicates that (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate. Following Lipinski's Rule of Five, (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate 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 (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate?
The CAS number of (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate is 5467-88-9.
What is the molecular formula of (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate?
The molecular formula of (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate is C19H18O5.
What is the molecular weight of (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate?
The molecular weight of (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate is 326.12 g/mol.
Where can I buy (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate?
You can request a quote for (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Ethoxy-3-oxo-1-phenylprop-1-enyl) 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.