Prop-2-enyl 3-oxo-3-phenylpropanoate
TL;DR: Prop-2-enyl 3-oxo-3-phenylpropanoate (CAS 15851-40-8) is a chemical compound with molecular formula C12H12O3 and molecular weight 204.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 3-oxo-3-phenylpropanoate
Also Known As: prop-2-enyl 3-oxo-3-phenylpropanoate, Benzoylacetic acid allyl ester, prop-2-en-1-yl 3-oxo-3-phenylpropanoate, 3-oxo-3-phenylpropionic acid allyl ester, J2.181.561F
| Molecular Formula | C12H12O3 |
|---|---|
| Molecular Weight | 204.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.07864 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 15851-40-8 |
|---|---|
| SMILES | C=CCOC(=O)CC(=O)C1=CC=CC=C1 |
| InChIKey | UDLGHAZAGPRBHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Prop-2-enyl 3-oxo-3-phenylpropanoate (CAS 15851-40-8), with molecular formula C12H12O3 and molecular weight 204.08 g/mol. IUPAC: prop-2-enyl 3-oxo-3-phenylpropanoate.
Chemical Property Profile of Prop-2-enyl 3-oxo-3-phenylpropanoate
Property Insights of Prop-2-enyl 3-oxo-3-phenylpropanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-enyl 3-oxo-3-phenylpropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Prop-2-enyl 3-oxo-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-enyl 3-oxo-3-phenylpropanoate has 0 hydrogen bond donor(s) and 3 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 Prop-2-enyl 3-oxo-3-phenylpropanoate?
The CAS number of Prop-2-enyl 3-oxo-3-phenylpropanoate is 15851-40-8.
What is the molecular formula of Prop-2-enyl 3-oxo-3-phenylpropanoate?
The molecular formula of Prop-2-enyl 3-oxo-3-phenylpropanoate is C12H12O3.
What is the molecular weight of Prop-2-enyl 3-oxo-3-phenylpropanoate?
The molecular weight of Prop-2-enyl 3-oxo-3-phenylpropanoate is 204.08 g/mol.
Where can I buy Prop-2-enyl 3-oxo-3-phenylpropanoate?
You can request a quote for Prop-2-enyl 3-oxo-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prop-2-enyl 3-oxo-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-enyl 3-oxo-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.