2-Bromomethyl-1,4-benzodioxane
TL;DR: 2-Bromomethyl-1,4-benzodioxane (CAS 2164-34-3) is a chemical compound with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine
Also Known As: 2-Bromomethyl-1,4-benzodioxane, 2-(bromomethyl)-2,3-dihydro-1,4-benzodioxine, Boc-Asp-Ofm, 2-(Bromomethyl)-2,3-dihydrobenzo[b][1,4]dioxine, 2-(Bromomethyl)-1,4-benzodioxane
| Molecular Formula | C9H9BrO2 |
|---|---|
| Molecular Weight | 227.98 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.97859 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 2164-34-3 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2O1)CBr |
| InChIKey | QYLFKNVZIFTCIY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromomethyl-1,4-benzodioxane (CAS 2164-34-3), with molecular formula C9H9BrO2 and molecular weight 227.98 g/mol. IUPAC: 3-(bromomethyl)-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 2-Bromomethyl-1,4-benzodioxane
Property Insights of 2-Bromomethyl-1,4-benzodioxane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromomethyl-1,4-benzodioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Bromomethyl-1,4-benzodioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromomethyl-1,4-benzodioxane has 0 hydrogen bond donor(s) and 2 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 2-Bromomethyl-1,4-benzodioxane?
The CAS number of 2-Bromomethyl-1,4-benzodioxane is 2164-34-3.
What is the molecular formula of 2-Bromomethyl-1,4-benzodioxane?
The molecular formula of 2-Bromomethyl-1,4-benzodioxane is C9H9BrO2.
What is the molecular weight of 2-Bromomethyl-1,4-benzodioxane?
The molecular weight of 2-Bromomethyl-1,4-benzodioxane is 227.98 g/mol.
Where can I buy 2-Bromomethyl-1,4-benzodioxane?
You can request a quote for 2-Bromomethyl-1,4-benzodioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromomethyl-1,4-benzodioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromomethyl-1,4-benzodioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.