Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid
TL;DR: Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid (CAS 70776-01-1) is a chemical compound with molecular formula C39H72O11 and molecular weight 716.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hexanoyloxymethyl)-2-(hydroxymethyl)-3-[2-(hydroxymethyl)-2-(octanoyloxymethyl)-3-pentanoyloxypropoxy]propyl] decanoate
Also Known As: Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid, Decanoic acid, mixed esters with dipentaerythritol, hexanoic acid, octanoic acid and valeric acid, 1,3-Propanediol, 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)-, pentanoate, hexanoate, octanoate, decanoate, [2-(hexanoyloxymethyl)-2-(hydroxymethyl)-3-[2-(hydroxymethyl)-2-(octanoyloxymethyl)-3-pentanoyloxypropoxy]propyl] decanoate, 2-[(Hexanoyloxy)methyl]-2-(hydroxymethyl)-3-[2-(hydroxymethyl)-2-[(octanoyloxy)methyl]-3-(pentanoyloxy)propoxy]propyl decanoate
| Molecular Formula | C39H72O11 |
|---|---|
| Molecular Weight | 716.51 g/mol |
| LogP | 7.4049 |
| Topological Polar Surface Area | 154.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 35 |
| Exact Mass | 716.50745 |
| Heavy Atoms | 50 |
| Complexity | 880.108 |
Chemical Identifiers
| CAS Number | 70776-01-1 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(CO)(COCC(CO)(COC(=O)CCCC)COC(=O)CCCCCCC)COC(=O)CCCCC |
Product Overview
Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid (CAS 70776-01-1), with molecular formula C39H72O11 and molecular weight 716.51 g/mol. IUPAC: [2-(hexanoyloxymethyl)-2-(hydroxymethyl)-3-[2-(hydroxymethyl)-2-(octanoyloxymethyl)-3-pentanoyloxypropoxy]propyl] decanoate.
Chemical Property Profile of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid
Property Insights of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid
The XLogP value of 7.4049 indicates that Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.89 Ų indicates high polarity, suggesting Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid?
The CAS number of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid is 70776-01-1.
What is the molecular formula of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid?
The molecular formula of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid is C39H72O11.
What is the molecular weight of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid?
The molecular weight of Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid is 716.51 g/mol.
Where can I buy Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid?
You can request a quote for Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid mixed esters with dipentaerythritol hexanoic acid octanoic acid and valeric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.