4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one
TL;DR: 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one (CAS 125094-30-6) is a chemical compound with molecular formula C10H9BrO2 and molecular weight 239.97859 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(5-bromo-2-hydroxyphenyl)but-3-en-2-one
Also Known As: 4-(5-bromo-2-hydroxyphenyl)but-3-en-2-one, (E)-4-(5-bromo-2-hydroxyphenyl)but-3-en-2-one, 4-(5-bromo-2-hydroxyphenyl)-3-buten-2-one, J2.794.896K, 4-(2-Hydroxy-5-bromophenyl)-3-butene-2-one
Technical Specifications
| Molecular Formula | C10H9BrO2 |
| Molecular Weight | 239.97859 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.97859 Da |
| Heavy Atoms | 13 |
| Complexity | 213.0 |
| SMILES | CC(=O)/C=C/C1=C(C=CC(=C1)Br)O |
| InChIKey | MPEHLZAFKMYOTA-NSCUHMNNSA-N |
Chemical Property Profile of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one
Property Insights of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one. With a topological polar surface area (TPSA) of 37.3 Ų, 4-(5-Bromo-2-hydroxyphenyl)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-hydroxyphenyl)but-3-en-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one?
The CAS number of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one is 125094-30-6.
What is the molecular formula of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one?
The molecular formula of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one is C10H9BrO2.
What is the molecular weight of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one?
The molecular weight of 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one is 239.97859 g/mol.
Where can I buy 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one?
You can request a quote for 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one?
Yes, CoreyChem provides custom synthesis services for 4-(5-Bromo-2-hydroxyphenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.