5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione (CAS 35060-08-3) is a chemical compound with molecular formula C7H9BrO4 and molecular weight 235.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione, EINECS 252-227-1, 1,3-Dioxane-4,6-dione, 5-bromo-2,2,5-trimethyl-, 6-Acetamino-2,4-Dichloro-3-Methyl-Phenol, 1,3-Dioxane-4,6-dione,5-bromo-2,2,5-trimethyl-
| Molecular Formula | C7H9BrO4 |
|---|---|
| Molecular Weight | 235.97 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 235.96841 |
| Heavy Atoms | 12 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 35060-08-3 |
|---|---|
| SMILES | CC1(OC(=O)C(C(=O)O1)(C)Br)C |
| InChIKey | XCOQDRFRYIKEMS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione (CAS 35060-08-3), with molecular formula C7H9BrO4 and molecular weight 235.97 g/mol. IUPAC: 5-bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 4 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 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione is 35060-08-3.
What is the molecular formula of 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione is C7H9BrO4.
What is the molecular weight of 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione is 235.97 g/mol.
Where can I buy 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2,2,5-trimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.