1-(5-Bromo-2-hydroxyphenyl)propan-1-one
TL;DR: 1-(5-Bromo-2-hydroxyphenyl)propan-1-one (CAS 178436-75-4) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-hydroxyphenyl)propan-1-one
Also Known As: 1-(5-bromo-2-hydroxyphenyl)propan-1-one, 5'-Bromo-2'-hydroxypropiophenone, 2-Propanoyl-4-bromophenol, 4-Bromo-2-propanoylphenol, 4-Brom-2-propionyl-phenol
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 178436-75-4 |
|---|---|
| SMILES | CCC(=O)C1=C(C=CC(=C1)Br)O |
| InChIKey | NDXLYRKTHTZXRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(5-Bromo-2-hydroxyphenyl)propan-1-one (CAS 178436-75-4), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 1-(5-bromo-2-hydroxyphenyl)propan-1-one.
Chemical Property Profile of 1-(5-Bromo-2-hydroxyphenyl)propan-1-one
Property Insights of 1-(5-Bromo-2-hydroxyphenyl)propan-1-one
The XLogP value of 3.2 indicates that 1-(5-Bromo-2-hydroxyphenyl)propan-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-(5-Bromo-2-hydroxyphenyl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-Bromo-2-hydroxyphenyl)propan-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-(5-Bromo-2-hydroxyphenyl)propan-1-one?
The CAS number of 1-(5-Bromo-2-hydroxyphenyl)propan-1-one is 178436-75-4.
What is the molecular formula of 1-(5-Bromo-2-hydroxyphenyl)propan-1-one?
The molecular formula of 1-(5-Bromo-2-hydroxyphenyl)propan-1-one is C9H9BrO2.
What is the molecular weight of 1-(5-Bromo-2-hydroxyphenyl)propan-1-one?
The molecular weight of 1-(5-Bromo-2-hydroxyphenyl)propan-1-one is 227.98 g/mol.
Where can I buy 1-(5-Bromo-2-hydroxyphenyl)propan-1-one?
You can request a quote for 1-(5-Bromo-2-hydroxyphenyl)propan-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-(5-Bromo-2-hydroxyphenyl)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-hydroxyphenyl)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.