5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione
TL;DR: 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione (CAS 425631-70-5) is a chemical compound with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione
Also Known As: 5-(4-chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione, AM-879/14887278, 5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione, 5-[(4-CHLOROPHENYL)METHYLENE]-2-PHENYL-1,3-DIOXANE-4,6-DIONE
| Molecular Formula | C17H11ClO4 |
|---|---|
| Molecular Weight | 314.03 g/mol |
| LogP | 3.5222 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 314.03458 |
| Heavy Atoms | 22 |
| Complexity | 715.0141 |
Chemical Identifiers
| CAS Number | 425631-70-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2OC(=O)C(=CC3=CC=C(C=C3)Cl)C(=O)O2 |
Product Overview
5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione (CAS 425631-70-5), with molecular formula C17H11ClO4 and molecular weight 314.03 g/mol. IUPAC: 5-[(4-chlorophenyl)methylidene]-2-phenyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione
Property Insights of 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione
The XLogP value of 3.5222 indicates that 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(4-Chlorobenzylidene)-2-phenyl-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-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione is 425631-70-5.
What is the molecular formula of 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione is C17H11ClO4.
What is the molecular weight of 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione is 314.03 g/mol.
Where can I buy 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(4-Chlorobenzylidene)-2-phenyl-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-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Chlorobenzylidene)-2-phenyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.