1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-
TL;DR: 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- (CAS 97845-58-4) is a chemical compound with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane
Also Known As: 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane, 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-, 5-bromoethyl-2,2-dimethyl-1,3-dioxan, 5- -2,2-DIMETHYL-1,3-DIOXANE, 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxan
| Molecular Formula | C8H15BrO2 |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.02554 |
| Heavy Atoms | 11 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 97845-58-4 |
|---|---|
| SMILES | CC1(OCC(CO1)CCBr)C |
| InChIKey | QFLUXIUZRCNNHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- (CAS 97845-58-4), with molecular formula C8H15BrO2 and molecular weight 222.03 g/mol. IUPAC: 5-(2-bromoethyl)-2,2-dimethyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-
Property Insights of 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- 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 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-?
The CAS number of 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- is 97845-58-4.
What is the molecular formula of 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-?
The molecular formula of 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- is C8H15BrO2.
What is the molecular weight of 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-?
The molecular weight of 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- is 222.03 g/mol.
Where can I buy 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-?
You can request a quote for 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 5-(2-bromoethyl)-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.