Cinnamyl 3-oxobutanoate
TL;DR: Cinnamyl 3-oxobutanoate (CAS 61363-91-5) 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.
[(E)-3-phenylprop-2-enyl] 3-oxobutanoate
Also Known As: Cinnamyl 3-oxobutanoate, Cinnamyl acetoacetate, (E)-Cinnamyl 3-oxobutanoate, Cilnidipine Impurity 10, (E)-Cinnamyl3-oxobutanoate
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 2.2221 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 379.424 |
Chemical Identifiers
| CAS Number | 61363-91-5 |
|---|---|
| SMILES | CC(=O)CC(=O)OC/C=C/C1=CC=CC=C1 |
Product Overview
Cinnamyl 3-oxobutanoate (CAS 61363-91-5), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: [(E)-3-phenylprop-2-enyl] 3-oxobutanoate.
Chemical Property Profile of Cinnamyl 3-oxobutanoate
Property Insights of Cinnamyl 3-oxobutanoate
The XLogP value of 2.2221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnamyl 3-oxobutanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Cinnamyl 3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnamyl 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 Cinnamyl 3-oxobutanoate?
The CAS number of Cinnamyl 3-oxobutanoate is 61363-91-5.
What is the molecular formula of Cinnamyl 3-oxobutanoate?
The molecular formula of Cinnamyl 3-oxobutanoate is C13H14O3.
What is the molecular weight of Cinnamyl 3-oxobutanoate?
The molecular weight of Cinnamyl 3-oxobutanoate is 218.09 g/mol.
Where can I buy Cinnamyl 3-oxobutanoate?
You can request a quote for Cinnamyl 3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnamyl 3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Cinnamyl 3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.