2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane
TL;DR: 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane (CAS 87842-52-2) is a chemical compound with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromoethyl)-2,5,5-trimethyl-1,3-dioxane
Also Known As: 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane, 3-chloro-4-trifluoromethoxyphenol, 2,5,5-trimethyl-2-(2-bromoethyl)-1,3-dioxane, 1,3-Dioxane,2-(2-bromoethyl)-2,5,5-trimethyl-, 2-(2-BROMOETHYL)-2 5 5-TRIMETHYL-1 3-
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 2.5606 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 146.60753 |
Chemical Identifiers
| CAS Number | 87842-52-2 |
|---|---|
| SMILES | CC1(COC(OC1)(C)CCBr)C |
Product Overview
2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane (CAS 87842-52-2), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: 2-(2-bromoethyl)-2,5,5-trimethyl-1,3-dioxane.
Chemical Property Profile of 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane
Property Insights of 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane
The XLogP value of 2.5606 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.46 Ų, 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane 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-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane?
The CAS number of 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane is 87842-52-2.
What is the molecular formula of 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane?
The molecular formula of 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane is C9H17BrO2.
What is the molecular weight of 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane?
The molecular weight of 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane is 236.04 g/mol.
Where can I buy 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane?
You can request a quote for 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromoethyl)-2,5,5-trimethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.