2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate (CAS 5162-90-3) is a chemical compound with molecular formula C14H13BrO3 and molecular weight 308.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
Also Known As: AB00074785-01, 2-(4-BROMOPHENYL)-2-OXOETHYL 2,4-HEXADIENOATE, I08-0247, 2-(4-bromophenyl)-2-oxoethyl (2E,4E)hexa-2,4-dienoate, [2-(4-bromophenyl)-2-oxo-ethyl] (2E,4E)-hexa-2,4-dienoate
| Molecular Formula | C14H13BrO3 |
|---|---|
| Molecular Weight | 308.00 g/mol |
| LogP | 3.3073 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.00482 |
| Heavy Atoms | 18 |
| Complexity | 472.3174 |
Chemical Identifiers
| CAS Number | 5162-90-3 |
|---|---|
| SMILES | C/C=C/C=C/C(=O)OCC(=O)C1=CC=C(C=C1)Br |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate (CAS 5162-90-3), with molecular formula C14H13BrO3 and molecular weight 308.00 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate
The XLogP value of 3.3073 indicates that 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate 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 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate is 5162-90-3.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate is C14H13BrO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate is 308.00 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 2,4-hexadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.