![4'-Bromo-[1,1'-biphenyl]-4-ol acetate structure](/static/products/856/85616-39-3.png)
4'-Bromo-[1,1'-biphenyl]-4-ol acetate
TL;DR: 4'-Bromo-[1,1'-biphenyl]-4-ol acetate (CAS 85616-39-3) is a chemical compound with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-bromophenyl)phenyl] acetate
Also Known As: 4-Acetoxy-4'-bromobiphenyl, [4-(4-bromophenyl)phenyl] acetate, 4-(4-bromophenyl)phenyl acetate, 4'-Bromo-[1,1'-biphenyl]-4-ol acetate, AMTDA159
| Molecular Formula | C14H11BrO2 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 289.99423 |
| Heavy Atoms | 17 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 85616-39-3 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)Br |
| InChIKey | PZPSICDSQWAIBR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Bromo-[1,1'-biphenyl]-4-ol acetate (CAS 85616-39-3), with molecular formula C14H11BrO2 and molecular weight 289.99 g/mol. IUPAC: [4-(4-bromophenyl)phenyl] acetate.
Chemical Property Profile of 4'-Bromo-[1,1'-biphenyl]-4-ol acetate
Property Insights of 4'-Bromo-[1,1'-biphenyl]-4-ol acetate
The XLogP value of 4.1 indicates that 4'-Bromo-[1,1'-biphenyl]-4-ol acetate 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'-Bromo-[1,1'-biphenyl]-4-ol acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Bromo-[1,1'-biphenyl]-4-ol acetate has 0 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 4'-Bromo-[1,1'-biphenyl]-4-ol acetate?
The CAS number of 4'-Bromo-[1,1'-biphenyl]-4-ol acetate is 85616-39-3.
What is the molecular formula of 4'-Bromo-[1,1'-biphenyl]-4-ol acetate?
The molecular formula of 4'-Bromo-[1,1'-biphenyl]-4-ol acetate is C14H11BrO2.
What is the molecular weight of 4'-Bromo-[1,1'-biphenyl]-4-ol acetate?
The molecular weight of 4'-Bromo-[1,1'-biphenyl]-4-ol acetate is 289.99 g/mol.
Where can I buy 4'-Bromo-[1,1'-biphenyl]-4-ol acetate?
You can request a quote for 4'-Bromo-[1,1'-biphenyl]-4-ol acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Bromo-[1,1'-biphenyl]-4-ol acetate?
Yes, KEHONG BIO provides custom synthesis services for 4'-Bromo-[1,1'-biphenyl]-4-ol acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.