5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
TL;DR: 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 67101-91-1) is a chemical compound with molecular formula C15H16O6 and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dimethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
Also Known As: trichloro-tri-s-triazine, Isopropylidene 3,4-dimethoxybenzylidene malonate, NCI60_014637, 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione, J2.962.278G
| Molecular Formula | C15H16O6 |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.0947 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 67101-91-1 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)O1)C |
| InChIKey | FZHKGXFTVVEHNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione (CAS 67101-91-1), with molecular formula C15H16O6 and molecular weight 292.09 g/mol. IUPAC: 5-[(3,4-dimethoxyphenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
Property Insights of 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 6 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-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 67101-91-1.
What is the molecular formula of 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is C15H16O6.
What is the molecular weight of 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione is 292.09 g/mol.
Where can I buy 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(3,4-Dimethoxybenzylidene)-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-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethoxybenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.