1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-
TL;DR: 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- (CAS 15795-59-2) is a chemical compound with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-bromophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: 5-(4-Bromobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(4-bromophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 5-[(4-bromophenyl)methylene]-2,2-dimethyl-, 2,2-Dimethyl-5-(4-bromobenzylidene)-1,3-dioxane-4,6-dione, 2,2-Dimethyl-5-(p-bromobenzylidene)-1,3-dioxane-4,6-dione
| Molecular Formula | C13H11BrO4 |
|---|---|
| Molecular Weight | 309.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 309.98407 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 15795-59-2 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC=C(C=C2)Br)C(=O)O1)C |
| InChIKey | BYJCZLGELPMDTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- (CAS 15795-59-2), with molecular formula C13H11BrO4 and molecular weight 309.98 g/mol. IUPAC: 5-[(4-bromophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-
Property Insights of 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-
The XLogP value of 3.4 indicates that 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- 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 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-?
The CAS number of 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- is 15795-59-2.
What is the molecular formula of 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-?
The molecular formula of 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- is C13H11BrO4.
What is the molecular weight of 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-?
The molecular weight of 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- is 309.98 g/mol.
Where can I buy 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-?
You can request a quote for 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-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-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane-4,6-dione, 5-((4-bromophenyl)methylene)-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.