Dipentaerythritol hexaisooctanoate
TL;DR: Dipentaerythritol hexaisooctanoate (CAS 70969-65-2) is a chemical compound with molecular formula C50H94O10 and molecular weight 854.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[2,2-bis(6-methylheptanoyloxymethyl)-3-(6-methylheptoxy)propoxy]methyl]-2-methyl-3-(6-methylheptanoyloxy)propyl] 6-methylheptanoate
Also Known As: Dipentaerythritol hexaisooctanoate, Dipentaerythritol, hexaisooctanoate, Isooctanoic acid, 1,1'-(2-((3-((1-oxoisooctyl)oxy)-2,2-bis(((1-oxoisooctyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl) ester, Isooctanoic acid, 2-((3-((1-oxoisooctyl)oxy)-2,2-bis(((1-oxoisooctyl)oxy)methyl)propoxy)methyl)-2-(((1-oxoisooctyl)oxy)methyl)-1,3-propanediyl ester, Iosooctanoic acid, oxybis[2,2-bis[[(1-oxoisooctyl)oxy]methyl]-3,1-propanediyl] ester
| Molecular Formula | C50H94O10 |
|---|---|
| Molecular Weight | 854.68 g/mol |
| LogP | 12.2671 |
| Topological Polar Surface Area | 123.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 40 |
| Exact Mass | 854.6847 |
| Heavy Atoms | 60 |
| Complexity | 1034.5978 |
Chemical Identifiers
| CAS Number | 70969-65-2 |
|---|---|
| SMILES | CC(C)CCCCCOCC(COCC(C)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C |
Product Overview
Dipentaerythritol hexaisooctanoate (CAS 70969-65-2), with molecular formula C50H94O10 and molecular weight 854.68 g/mol. IUPAC: [2-[[2,2-bis(6-methylheptanoyloxymethyl)-3-(6-methylheptoxy)propoxy]methyl]-2-methyl-3-(6-methylheptanoyloxy)propyl] 6-methylheptanoate.
Chemical Property Profile of Dipentaerythritol hexaisooctanoate
Property Insights of Dipentaerythritol hexaisooctanoate
The XLogP value of 12.2671 indicates that Dipentaerythritol hexaisooctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Dipentaerythritol hexaisooctanoate. Following Lipinski's Rule of Five, Dipentaerythritol hexaisooctanoate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dipentaerythritol hexaisooctanoate?
The CAS number of Dipentaerythritol hexaisooctanoate is 70969-65-2.
What is the molecular formula of Dipentaerythritol hexaisooctanoate?
The molecular formula of Dipentaerythritol hexaisooctanoate is C50H94O10.
What is the molecular weight of Dipentaerythritol hexaisooctanoate?
The molecular weight of Dipentaerythritol hexaisooctanoate is 854.68 g/mol.
Where can I buy Dipentaerythritol hexaisooctanoate?
You can request a quote for Dipentaerythritol hexaisooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipentaerythritol hexaisooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Dipentaerythritol hexaisooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.