3-(2-Bromoethyl)phenol
TL;DR: 3-(2-Bromoethyl)phenol (CAS 52059-50-4) is a chemical compound with molecular formula C8H9BrO and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromoethyl)phenol
Also Known As: 3-(2-Bromoethyl)phenol, 3- phenol, Phenol, 3-(2-bromoethyl)-, 3-(2-Bromoethyl)-phenol, RefChem:273581
| Molecular Formula | C8H9BrO |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.98367 |
| Heavy Atoms | 10 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 52059-50-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)CCBr |
| InChIKey | PFGNESVRGGEZCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Bromoethyl)phenol (CAS 52059-50-4), with molecular formula C8H9BrO and molecular weight 199.98 g/mol. IUPAC: 3-(2-bromoethyl)phenol.
Chemical Property Profile of 3-(2-Bromoethyl)phenol
Property Insights of 3-(2-Bromoethyl)phenol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromoethyl)phenol. With a topological polar surface area (TPSA) of 20.2 Ų, 3-(2-Bromoethyl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Bromoethyl)phenol has 1 hydrogen bond donor(s) and 1 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 3-(2-Bromoethyl)phenol?
The CAS number of 3-(2-Bromoethyl)phenol is 52059-50-4.
What is the molecular formula of 3-(2-Bromoethyl)phenol?
The molecular formula of 3-(2-Bromoethyl)phenol is C8H9BrO.
What is the molecular weight of 3-(2-Bromoethyl)phenol?
The molecular weight of 3-(2-Bromoethyl)phenol is 199.98 g/mol.
Where can I buy 3-(2-Bromoethyl)phenol?
You can request a quote for 3-(2-Bromoethyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromoethyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromoethyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.