Allyl m-bromophenyl ether
TL;DR: Allyl m-bromophenyl ether (CAS 41388-50-5) is a chemical compound with molecular formula C9H9BrO and molecular weight 211.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-3-prop-2-enoxybenzene
Also Known As: allyl m-bromophenyl ether, 1-(allyloxy)-3-bromobenzene, 1-allyloxy-3-bromobenzene, 1-bromo-3-prop-2-enoxybenzene, allyl (3-bromophenyl) ether
| Molecular Formula | C9H9BrO |
|---|---|
| Molecular Weight | 211.98 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 | 211.98367 |
| Heavy Atoms | 11 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 41388-50-5 |
|---|---|
| SMILES | C=CCOC1=CC(=CC=C1)Br |
| InChIKey | FIXOLQLLJSDRBF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl m-bromophenyl ether (CAS 41388-50-5), with molecular formula C9H9BrO and molecular weight 211.98 g/mol. IUPAC: 1-bromo-3-prop-2-enoxybenzene.
Chemical Property Profile of Allyl m-bromophenyl ether
Property Insights of Allyl m-bromophenyl ether
The XLogP value of 3.3 indicates that Allyl m-bromophenyl ether is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Allyl m-bromophenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl m-bromophenyl ether 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 Allyl m-bromophenyl ether?
The CAS number of Allyl m-bromophenyl ether is 41388-50-5.
What is the molecular formula of Allyl m-bromophenyl ether?
The molecular formula of Allyl m-bromophenyl ether is C9H9BrO.
What is the molecular weight of Allyl m-bromophenyl ether?
The molecular weight of Allyl m-bromophenyl ether is 211.98 g/mol.
Where can I buy Allyl m-bromophenyl ether?
You can request a quote for Allyl m-bromophenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl m-bromophenyl ether?
Yes, KEHONG BIO provides custom synthesis services for Allyl m-bromophenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.