3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid
TL;DR: 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid (CAS 160784-63-4) is a chemical compound with molecular formula C12H12O12 and molecular weight 348.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,5,5-tris(carboxymethyl)-3,6-dioxo-1,4-dioxan-2-yl]acetic acid
Also Known As: 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid, 2-[2,5,5-tris(carboxymethyl)-3,6-dioxo-1,4-dioxan-2-yl]acetic Acid, 2,2',2'',2'''-(3,6-dioxo-1,4-dioxane-2,2,5,5-tetrayl)tetraacetic acid
| Molecular Formula | C12H12O12 |
|---|---|
| Molecular Weight | 348.03 g/mol |
| LogP | -1.5372 |
| Topological Polar Surface Area | 201.8 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.03287 |
| Heavy Atoms | 24 |
| Complexity | 531.52783 |
Chemical Identifiers
| CAS Number | 160784-63-4 |
|---|---|
| SMILES | C(C(=O)O)C1(C(=O)OC(C(=O)O1)(CC(=O)O)CC(=O)O)CC(=O)O |
Product Overview
3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid (CAS 160784-63-4), with molecular formula C12H12O12 and molecular weight 348.03 g/mol. IUPAC: 2-[2,5,5-tris(carboxymethyl)-3,6-dioxo-1,4-dioxan-2-yl]acetic acid.
Chemical Property Profile of 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid
Property Insights of 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid
The XLogP value of -1.5372 indicates that 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.8 Ų indicates high polarity, suggesting 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid has 4 hydrogen bond donor(s) and 8 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 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid?
The CAS number of 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid is 160784-63-4.
What is the molecular formula of 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid?
The molecular formula of 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid is C12H12O12.
What is the molecular weight of 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid?
The molecular weight of 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid is 348.03 g/mol.
Where can I buy 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid?
You can request a quote for 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dioxo-1,4-dioxane-2,2,5,5-tetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.