(3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate
TL;DR: (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate (CAS 6334-16-3) is a chemical compound with molecular formula C17H14O4 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxy-3-oxo-1-phenylprop-1-enyl) benzoate
Also Known As: (3-methoxy-3-oxo-1-phenylprop-1-enyl) benzoate, 3-methoxy-3-oxo-1-phenylprop-1-en-1-yl benzoate, [(E)-3-methoxy-3-oxo-1-phenylprop-1-enyl] benzoate
| Molecular Formula | C17H14O4 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.0892 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 6334-16-3 |
|---|---|
| SMILES | COC(=O)C=C(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2 |
| InChIKey | LHAUYNJMEPJTIN-UHFFFAOYSA-N |
Product Overview
(3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate (CAS 6334-16-3), with molecular formula C17H14O4 and molecular weight 282.09 g/mol. IUPAC: (3-methoxy-3-oxo-1-phenylprop-1-enyl) benzoate.
Chemical Property Profile of (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate
Property Insights of (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate
The XLogP value of 3.4 indicates that (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate has 0 hydrogen bond donor(s) and 4 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-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate?
The CAS number of (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate is 6334-16-3.
What is the molecular formula of (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate?
The molecular formula of (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate is C17H14O4.
What is the molecular weight of (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate?
The molecular weight of (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate is 282.09 g/mol.
Where can I buy (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate?
You can request a quote for (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Methoxy-3-oxo-1-phenylprop-1-enyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.