1-Bromo-2-(3-methoxyphenyl)ethane
TL;DR: 1-Bromo-2-(3-methoxyphenyl)ethane (CAS 57638-63-8) is a chemical compound with molecular formula COC1=CC=CC(=C1)CCBr and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethyl)-3-methoxybenzene
Also Known As: 3-Methoxyphenethyl bromide, 1-(2-Bromoethyl)-3-methoxybenzene, 1-(2-Bromo-ethyl)-3-methoxy-benzene, m-methoxyphenethylbromide, 3-(2-Bromoethyl)anisole
| Molecular Formula | COC1=CC=CC(=C1)CCBr |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.99933 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 57638-63-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CCBr |
| InChIKey | LQDHVNHVHAYANB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-2-(3-methoxyphenyl)ethane (CAS 57638-63-8), with molecular formula COC1=CC=CC(=C1)CCBr and molecular weight 214.00 g/mol. IUPAC: 1-(2-bromoethyl)-3-methoxybenzene.
Chemical Property Profile of 1-Bromo-2-(3-methoxyphenyl)ethane
Property Insights of 1-Bromo-2-(3-methoxyphenyl)ethane
The XLogP value of 3.3 indicates that 1-Bromo-2-(3-methoxyphenyl)ethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Bromo-2-(3-methoxyphenyl)ethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-2-(3-methoxyphenyl)ethane has 0 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 1-Bromo-2-(3-methoxyphenyl)ethane?
The CAS number of 1-Bromo-2-(3-methoxyphenyl)ethane is 57638-63-8.
What is the molecular formula of 1-Bromo-2-(3-methoxyphenyl)ethane?
The molecular formula of 1-Bromo-2-(3-methoxyphenyl)ethane is COC1=CC=CC(=C1)CCBr.
What is the molecular weight of 1-Bromo-2-(3-methoxyphenyl)ethane?
The molecular weight of 1-Bromo-2-(3-methoxyphenyl)ethane is 214.00 g/mol.
Where can I buy 1-Bromo-2-(3-methoxyphenyl)ethane?
You can request a quote for 1-Bromo-2-(3-methoxyphenyl)ethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-2-(3-methoxyphenyl)ethane?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-2-(3-methoxyphenyl)ethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.