Dipentaerythrityl valerate
TL;DR: Dipentaerythrityl valerate (CAS 56996-50-0) is a chemical compound with molecular formula C15H32O9 and molecular weight 356.20462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;pentanoic acid
Also Known As: Dipentaerythrityl valerate, Dipentaerythritol valerate, Pentanoic acid, ester with 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)-1,3-propanediol), pentanoic acid- 2,2'-(oxydimethanediyl)bis[2-(hydroxymethyl)propane-1,3-diol](1:1), Pentanoic acid, ester with 2,2'-[oxybis(methylene)]bis[2-(hydroxymethyl)-1,3-propanediol]
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H32O9 |
| Molecular Weight | 356.20462 g/mol |
| XLogP | -1.81 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 356.20462 Da |
| Heavy Atoms | 24 |
| Complexity | 212.0 |
| SMILES | CCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O |
| InChIKey | PXQRABOLSZACQD-UHFFFAOYSA-N |
Chemical Property Profile of Dipentaerythrityl valerate
Property Insights of Dipentaerythrityl valerate
The XLogP value of -1.81 indicates that Dipentaerythrityl valerate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting Dipentaerythrityl valerate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipentaerythrityl valerate has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dipentaerythrityl valerate?
The CAS number of Dipentaerythrityl valerate is 56996-50-0.
What is the molecular formula of Dipentaerythrityl valerate?
The molecular formula of Dipentaerythrityl valerate is C15H32O9.
What is the molecular weight of Dipentaerythrityl valerate?
The molecular weight of Dipentaerythrityl valerate is 356.20462 g/mol.
Where can I buy Dipentaerythrityl valerate?
You can request a quote for Dipentaerythrityl valerate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dipentaerythrityl valerate?
Yes, CoreyChem provides custom synthesis services for Dipentaerythrityl valerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.