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2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione structure
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2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione

TL;DR: 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione (CAS 152821-16-4) is a chemical compound with molecular formula C16H18O7 and molecular weight 322.10526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione

Also Known As: J2.514.664F, 2,2-dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylene]-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylene]-

CAS Number
152821-16-4
Molecular Formula
C16H18O7
Molecular Weight
322.10526 g/mol
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Technical Specifications

Molecular FormulaC16H18O7
Molecular Weight322.10526 g/mol
XLogP2.7
Topological Polar Surface Area (TPSA)80.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds4
Exact Mass322.10526 Da
Heavy Atoms23
Complexity475.0
SMILESCC1(OC(=O)C(=CC2=C(C(=C(C=C2)OC)OC)OC)C(=O)O1)C
InChIKeyYKRQNGHPSCILLN-UHFFFAOYSA-N

Chemical Property Profile of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione

XLogP
2.7
TPSA (Topological Polar Surface Area)
80.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
4
Heavy Atoms
23
Complexity
475.0
Exact Mass
322.10526
Monoisotopic Mass
322.10526
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione

The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione?

The CAS number of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione is 152821-16-4.

What is the molecular formula of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione?

The molecular formula of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione is C16H18O7.

What is the molecular weight of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione?

The molecular weight of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione is 322.10526 g/mol.

Where can I buy 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione?

You can request a quote for 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione?

Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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