5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 23160-08-9) is a chemical compound with molecular formula C13H11FO4 and molecular weight 250.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-fluorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: ChemDiv3_003125, o-Fluorbenzyliden-meldrumsaeure, 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, 5-[(2-fluorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione, J2.505.625F
| Molecular Formula | C13H11FO4 |
|---|---|
| Molecular Weight | 250.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.06413 |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 23160-08-9 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC=CC=C2F)C(=O)O1)C |
| InChIKey | AGFHYOYOMHKHSM-UHFFFAOYSA-N |
Product Overview
5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 23160-08-9), with molecular formula C13H11FO4 and molecular weight 250.06 g/mol. IUPAC: 5-[(2-fluorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 5 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-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 23160-08-9.
What is the molecular formula of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C13H11FO4.
What is the molecular weight of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 250.06 g/mol.
Where can I buy 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(2-Fluorobenzylidene)-2,2-dimethyl-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-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Fluorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.