Dipentaerythritol xadipate
TL;DR: Dipentaerythritol xadipate (CAS 56509-15-0) is a chemical compound with molecular formula C16H32O11 and molecular weight 400.19446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexanedioic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol
Also Known As: Dipentaerythritol xadipate, Hexanedioic acid, ester with 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)-1,3-propanediol), hexanedioic acid- 2,2'-(oxydimethanediyl)bis[2-(hydroxymethyl)propane-1,3-diol](1:1), hexanedioic acid; 2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol, 260-232-5
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H32O11 |
| Molecular Weight | 400.19446 g/mol |
| XLogP | -2.35 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Exact Mass | 400.19446 Da |
| Heavy Atoms | 27 |
| Complexity | 266.0 |
| SMILES | C(CCC(=O)O)CC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O |
| InChIKey | QHGDLXYLDOMQCV-UHFFFAOYSA-N |
Chemical Property Profile of Dipentaerythritol xadipate
Property Insights of Dipentaerythritol xadipate
The XLogP value of -2.35 indicates that Dipentaerythritol xadipate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Dipentaerythritol xadipate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipentaerythritol xadipate has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dipentaerythritol xadipate?
The CAS number of Dipentaerythritol xadipate is 56509-15-0.
What is the molecular formula of Dipentaerythritol xadipate?
The molecular formula of Dipentaerythritol xadipate is C16H32O11.
What is the molecular weight of Dipentaerythritol xadipate?
The molecular weight of Dipentaerythritol xadipate is 400.19446 g/mol.
Where can I buy Dipentaerythritol xadipate?
You can request a quote for Dipentaerythritol xadipate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dipentaerythritol xadipate?
Yes, CoreyChem provides custom synthesis services for Dipentaerythritol xadipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.