ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate
TL;DR: ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate (CAS 651726-29-3) is a chemical compound with molecular formula C22H23BrO3 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate
Also Known As: ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate, (E)-ethyl 2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate, ethyl (4E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate
| Molecular Formula | C22H23BrO3 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 5.2336 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.08307 |
| Heavy Atoms | 26 |
| Complexity | 765.7342 |
Chemical Identifiers
| CAS Number | 651726-29-3 |
|---|---|
| SMILES | CCC(CC1=CC=CC=C1)(C(=O)/C=C/C2=CC=C(C=C2)Br)C(=O)OCC |
Product Overview
ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate (CAS 651726-29-3), with molecular formula C22H23BrO3 and molecular weight 414.08 g/mol. IUPAC: ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate.
Chemical Property Profile of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate
Property Insights of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate
The XLogP value of 5.2336 indicates that ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-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 (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate?
The CAS number of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate is 651726-29-3.
What is the molecular formula of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate?
The molecular formula of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate is C22H23BrO3.
What is the molecular weight of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate?
The molecular weight of ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate is 414.08 g/mol.
Where can I buy ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate?
You can request a quote for ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-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 (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-benzyl-5-(4-bromophenyl)-2-ethyl-3-oxopent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.