Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate
TL;DR: Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate (CAS 302941-31-7) is a chemical compound with molecular formula C17H21BrO3 and molecular weight 352.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-5-(4-bromophenyl)-2,2-diethyl-3-oxopent-4-enoate
Also Known As: (E)-ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxopent-4-enoate, ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate, ethyl (4E)-5-(4-bromophenyl)-2,2-diethyl-3-oxopent-4-enoate, ethyl (E)-5-(4-bromophenyl)-2,2-diethyl-3-oxopent-4-enoate
| Molecular Formula | C17H21BrO3 |
|---|---|
| Molecular Weight | 352.07 g/mol |
| LogP | 4.4009 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.0674 |
| Heavy Atoms | 21 |
| Complexity | 513.3417 |
Chemical Identifiers
| CAS Number | 302941-31-7 |
|---|---|
| SMILES | CCC(CC)(C(=O)/C=C/C1=CC=C(C=C1)Br)C(=O)OCC |
Product Overview
Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate (CAS 302941-31-7), with molecular formula C17H21BrO3 and molecular weight 352.07 g/mol. IUPAC: ethyl (E)-5-(4-bromophenyl)-2,2-diethyl-3-oxopent-4-enoate.
Chemical Property Profile of Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate
Property Insights of Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate
The XLogP value of 4.4009 indicates that Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate 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 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate 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 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate?
The CAS number of Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate is 302941-31-7.
What is the molecular formula of Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate?
The molecular formula of Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate is C17H21BrO3.
What is the molecular weight of Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate?
The molecular weight of Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate is 352.07 g/mol.
Where can I buy Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate?
You can request a quote for Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(4-bromophenyl)-2,2-diethyl-3-oxo-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.