ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate
TL;DR: ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate (CAS 302941-27-1) is a chemical compound with molecular formula C17H22O3 and molecular weight 274.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate
Also Known As: BAS 01355767, ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate, (E)-ethyl 2,2-diethyl-3-oxo-5-phenylpent-4-enoate, Ethyl (4E)-2,2-diethyl-3-oxo-5-phenyl-4-pentenoate, ethyl (E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate
| Molecular Formula | C17H22O3 |
|---|---|
| Molecular Weight | 274.16 g/mol |
| LogP | 3.6384 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.1569 |
| Heavy Atoms | 20 |
| Complexity | 470.2683 |
Chemical Identifiers
| CAS Number | 302941-27-1 |
|---|---|
| SMILES | CCC(CC)(C(=O)/C=C/C1=CC=CC=C1)C(=O)OCC |
Product Overview
ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate (CAS 302941-27-1), with molecular formula C17H22O3 and molecular weight 274.16 g/mol. IUPAC: ethyl (E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate.
Chemical Property Profile of ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate
Property Insights of ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate
The XLogP value of 3.6384 indicates that ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate 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 ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate?
The CAS number of ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate is 302941-27-1.
What is the molecular formula of ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate?
The molecular formula of ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate is C17H22O3.
What is the molecular weight of ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate?
The molecular weight of ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate is 274.16 g/mol.
Where can I buy ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate?
You can request a quote for ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (4E)-2,2-diethyl-3-oxo-5-phenylpent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.