Prop-2-enyl 4-oxo-4-phenylbutanoate
TL;DR: Prop-2-enyl 4-oxo-4-phenylbutanoate (CAS 83833-01-6) 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.
prop-2-enyl 4-oxo-4-phenylbutanoate
Also Known As: prop-2-enyl 4-oxo-4-phenylbutanoate, Benzenebutanoic acid,g-oxo-,2-propen-1-yl ester, PROP-2-EN-1-YL 4-OXO-4-PHENYLBUTANOATE, Benzenebutanoic acid, g-oxo-, 2-propen-1-yl ester
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 83833-01-6 |
|---|---|
| SMILES | C=CCOC(=O)CCC(=O)C1=CC=CC=C1 |
| InChIKey | COMCGEIFOZPJTB-UHFFFAOYSA-N |
Product Overview
Prop-2-enyl 4-oxo-4-phenylbutanoate (CAS 83833-01-6), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: prop-2-enyl 4-oxo-4-phenylbutanoate.
Chemical Property Profile of Prop-2-enyl 4-oxo-4-phenylbutanoate
Property Insights of Prop-2-enyl 4-oxo-4-phenylbutanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prop-2-enyl 4-oxo-4-phenylbutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Prop-2-enyl 4-oxo-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Prop-2-enyl 4-oxo-4-phenylbutanoate 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 4-oxo-4-phenylbutanoate?
The CAS number of Prop-2-enyl 4-oxo-4-phenylbutanoate is 83833-01-6.
What is the molecular formula of Prop-2-enyl 4-oxo-4-phenylbutanoate?
The molecular formula of Prop-2-enyl 4-oxo-4-phenylbutanoate is C13H14O3.
What is the molecular weight of Prop-2-enyl 4-oxo-4-phenylbutanoate?
The molecular weight of Prop-2-enyl 4-oxo-4-phenylbutanoate is 218.09 g/mol.
Where can I buy Prop-2-enyl 4-oxo-4-phenylbutanoate?
You can request a quote for Prop-2-enyl 4-oxo-4-phenylbutanoate 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 4-oxo-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-enyl 4-oxo-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.