![4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one structure](/static/products/887/887582-16-3.png)
4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one
TL;DR: 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one (CAS 887582-16-3) is a chemical compound with molecular formula C16H21BrO2 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(5-bromo-2-hexoxyphenyl)but-3-en-2-one
Also Known As: 4-[5-bromo-2-(hexyloxy)phenyl]but-3-en-2-one, (E)-4-(5-bromo-2-hexoxyphenyl)but-3-en-2-one, AO-289/25117011, (E)-4-(5-Bromo-2-(hexyloxy)phenyl)but-3-en-2-one
| Molecular Formula | C16H21BrO2 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 5.0104 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 324.07248 |
| Heavy Atoms | 19 |
| Complexity | 438.37512 |
Chemical Identifiers
| CAS Number | 887582-16-3 |
|---|---|
| SMILES | CCCCCCOC1=C(C=C(C=C1)Br)/C=C/C(=O)C |
Product Overview
4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one (CAS 887582-16-3), with molecular formula C16H21BrO2 and molecular weight 324.07 g/mol. IUPAC: (E)-4-(5-bromo-2-hexoxyphenyl)but-3-en-2-one.
Chemical Property Profile of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one
Property Insights of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one
The XLogP value of 5.0104 indicates that 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one?
The CAS number of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one is 887582-16-3.
What is the molecular formula of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one?
The molecular formula of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one is C16H21BrO2.
What is the molecular weight of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one?
The molecular weight of 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one is 324.07 g/mol.
Where can I buy 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one?
You can request a quote for 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[5-Bromo-2-(hexyloxy)phenyl]but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.