1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one
TL;DR: 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one (CAS 2887-72-1) is a chemical compound with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dibromo-4-hydroxyphenyl)ethanone
Also Known As: 3',5'-Dibromo-4'-hydroxyacetophenone, 1-(3,5-dibromo-4-hydroxyphenyl)ethanone, 3,5-dibromo-4-hydroxyacetophenone, zlchem 914, 2,6-dibromo-4-acetylphenol
| Molecular Formula | C8H6Br2O2 |
|---|---|
| Molecular Weight | 291.87 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.8714 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 2887-72-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C(=C1)Br)O)Br |
| InChIKey | ZNWPTJSBHHIXLJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one (CAS 2887-72-1), with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol. IUPAC: 1-(3,5-dibromo-4-hydroxyphenyl)ethanone.
Chemical Property Profile of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one
Property Insights of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one
The XLogP value of 3.4 indicates that 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-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
Frequently Asked Questions
What is the CAS number of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one?
The CAS number of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one is 2887-72-1.
What is the molecular formula of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one?
The molecular formula of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one is C8H6Br2O2.
What is the molecular weight of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one?
The molecular weight of 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one is 291.87 g/mol.
Where can I buy 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one?
You can request a quote for 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Dibromo-4-hydroxyphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.