![[2-(3-Oxoprop-1-enyl)phenyl] acetate structure](/static/products/3353/33538-94-2.webp)
[2-(3-Oxoprop-1-enyl)phenyl] acetate
TL;DR: [2-(3-Oxoprop-1-enyl)phenyl] acetate (CAS 33538-94-2) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-oxoprop-1-enyl)phenyl] acetate
Also Known As: 2-acetoxycinnamaldehyde, 2-Hydroxycinnamaldehyde acetate, [2-(3-oxoprop-1-enyl)phenyl] acetate, [2-(3-Oxoprop-1-enyl)phenyl ] acetate, [2-[(Z)-3-oxoprop-1-enyl]phenyl] acetate
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 33538-94-2 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C=CC=O |
| InChIKey | JOWKJFRQPYWIMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
[2-(3-Oxoprop-1-enyl)phenyl] acetate (CAS 33538-94-2), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: [2-(3-oxoprop-1-enyl)phenyl] acetate.
Chemical Property Profile of [2-(3-Oxoprop-1-enyl)phenyl] acetate
Property Insights of [2-(3-Oxoprop-1-enyl)phenyl] acetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(3-Oxoprop-1-enyl)phenyl] acetate. With a topological polar surface area (TPSA) of 43.4 Ų, [2-(3-Oxoprop-1-enyl)phenyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-(3-Oxoprop-1-enyl)phenyl] acetate 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 [2-(3-Oxoprop-1-enyl)phenyl] acetate?
The CAS number of [2-(3-Oxoprop-1-enyl)phenyl] acetate is 33538-94-2.
What is the molecular formula of [2-(3-Oxoprop-1-enyl)phenyl] acetate?
The molecular formula of [2-(3-Oxoprop-1-enyl)phenyl] acetate is C11H10O3.
What is the molecular weight of [2-(3-Oxoprop-1-enyl)phenyl] acetate?
The molecular weight of [2-(3-Oxoprop-1-enyl)phenyl] acetate is 190.06 g/mol.
Where can I buy [2-(3-Oxoprop-1-enyl)phenyl] acetate?
You can request a quote for [2-(3-Oxoprop-1-enyl)phenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(3-Oxoprop-1-enyl)phenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2-(3-Oxoprop-1-enyl)phenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.