1-Bromo-4-(ethoxymethyl)benzene
TL;DR: 1-Bromo-4-(ethoxymethyl)benzene (CAS 95068-22-7) is a chemical compound with molecular formula C9H11BrO and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-4-(ethoxymethyl)benzene
Also Known As: 1-Bromo-4-(ethoxymethyl)benzene, 1-bromo-4-ethoxymethylbenzene, 4-Bromobenzylethyl ether, Benzene, 1-bromo-4-(ethoxymethyl)-, Ethyl(4-bromobenzyl) ether
| Molecular Formula | C9H11BrO |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 2.6 |
| 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 | 97.0 |
Chemical Identifiers
| CAS Number | 95068-22-7 |
|---|---|
| SMILES | CCOCC1=CC=C(C=C1)Br |
| InChIKey | GHMBQMRBQQURAS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Bromo-4-(ethoxymethyl)benzene (CAS 95068-22-7), with molecular formula C9H11BrO and molecular weight 214.00 g/mol. IUPAC: 1-bromo-4-(ethoxymethyl)benzene.
Chemical Property Profile of 1-Bromo-4-(ethoxymethyl)benzene
Property Insights of 1-Bromo-4-(ethoxymethyl)benzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Bromo-4-(ethoxymethyl)benzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Bromo-4-(ethoxymethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Bromo-4-(ethoxymethyl)benzene 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-4-(ethoxymethyl)benzene?
The CAS number of 1-Bromo-4-(ethoxymethyl)benzene is 95068-22-7.
What is the molecular formula of 1-Bromo-4-(ethoxymethyl)benzene?
The molecular formula of 1-Bromo-4-(ethoxymethyl)benzene is C9H11BrO.
What is the molecular weight of 1-Bromo-4-(ethoxymethyl)benzene?
The molecular weight of 1-Bromo-4-(ethoxymethyl)benzene is 214.00 g/mol.
Where can I buy 1-Bromo-4-(ethoxymethyl)benzene?
You can request a quote for 1-Bromo-4-(ethoxymethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Bromo-4-(ethoxymethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Bromo-4-(ethoxymethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.