4-Bromophenetole
TL;DR: 4-Bromophenetole (CAS 588-96-5) 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.
1-bromo-4-ethoxybenzene
Also Known As: 4-Bromophenetole, p-Bromophenetole, 1-Bromo-4-ethoxybenzene, Benzene, 1-bromo-4-ethoxy-, p-Bromoethoxybenzene
| Molecular Formula | C8H9BrO |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.98367 |
| Heavy Atoms | 10 |
| Complexity | 87.0 |
Chemical Identifiers
| CAS Number | 588-96-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)Br |
| InChIKey | WVUYYXUATWMVIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromophenetole (CAS 588-96-5), with molecular formula C8H9BrO and molecular weight 199.98 g/mol. IUPAC: 1-bromo-4-ethoxybenzene.
Chemical Property Profile of 4-Bromophenetole
Property Insights of 4-Bromophenetole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromophenetole. With a topological polar surface area (TPSA) of 9.2 Ų, 4-Bromophenetole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromophenetole 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 4-Bromophenetole?
The CAS number of 4-Bromophenetole is 588-96-5.
What is the molecular formula of 4-Bromophenetole?
The molecular formula of 4-Bromophenetole is C8H9BrO.
What is the molecular weight of 4-Bromophenetole?
The molecular weight of 4-Bromophenetole is 199.98 g/mol.
Where can I buy 4-Bromophenetole?
You can request a quote for 4-Bromophenetole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromophenetole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromophenetole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.