3-Phenyl-2-propen-1-yl 3-oxobutanoate
TL;DR: 3-Phenyl-2-propen-1-yl 3-oxobutanoate (CAS 57582-46-4) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-enyl 3-oxobutanoate
Also Known As: Cinnamyl acetoacetate, Cinnamyl 3-oxobutanoate, Benzalacetessigester, Cinnamyl3-oxobutanoate, 3-phenylallyl 3-oxobutanoate
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 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 | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 57582-46-4 |
|---|---|
| SMILES | CC(=O)CC(=O)OCC=CC1=CC=CC=C1 |
| InChIKey | BDCAQAAKRKWXFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenyl-2-propen-1-yl 3-oxobutanoate (CAS 57582-46-4), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 3-phenylprop-2-enyl 3-oxobutanoate.
Chemical Property Profile of 3-Phenyl-2-propen-1-yl 3-oxobutanoate
Property Insights of 3-Phenyl-2-propen-1-yl 3-oxobutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-propen-1-yl 3-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Phenyl-2-propen-1-yl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenyl-2-propen-1-yl 3-oxobutanoate 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 3-Phenyl-2-propen-1-yl 3-oxobutanoate?
The CAS number of 3-Phenyl-2-propen-1-yl 3-oxobutanoate is 57582-46-4.
What is the molecular formula of 3-Phenyl-2-propen-1-yl 3-oxobutanoate?
The molecular formula of 3-Phenyl-2-propen-1-yl 3-oxobutanoate is C13H14O3.
What is the molecular weight of 3-Phenyl-2-propen-1-yl 3-oxobutanoate?
The molecular weight of 3-Phenyl-2-propen-1-yl 3-oxobutanoate is 218.09 g/mol.
Where can I buy 3-Phenyl-2-propen-1-yl 3-oxobutanoate?
You can request a quote for 3-Phenyl-2-propen-1-yl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-propen-1-yl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-propen-1-yl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.