Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids
TL;DR: Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids (CAS 71549-97-8) is a chemical compound with molecular formula C53H100O11 and molecular weight 912.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R)-2-[[2-(heptanoyloxymethyl)-2-(hydroxymethyl)-3-undecanoyloxypropoxy]methyl]-2-(hydroxymethyl)-3-nonanoyloxypropyl] (2R)-2-hexyldecanoate
Also Known As: Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids, Undecanoic acid mixed esters with dipentaerythritol heptanoic acid 2-hexyldecanoic acid and nonanoic acid, Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid, 2-hexyldecanoic acid and nonanoic acid
| Molecular Formula | C53H100O11 |
|---|---|
| Molecular Weight | 912.73 g/mol |
| LogP | 12.7222 |
| Topological Polar Surface Area | 154.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 48 |
| Exact Mass | 912.72656 |
| Heavy Atoms | 64 |
| Complexity | 1115.9629 |
Chemical Identifiers
| CAS Number | 71549-97-8 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OCC(CO)(COC[C@](CO)(COC(=O)CCCCCCCC)COC(=O)[C@H](CCCCCC)CCCCCCCC)COC(=O)CCCCCC |
Product Overview
Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids (CAS 71549-97-8), with molecular formula C53H100O11 and molecular weight 912.73 g/mol. IUPAC: [(2R)-2-[[2-(heptanoyloxymethyl)-2-(hydroxymethyl)-3-undecanoyloxypropoxy]methyl]-2-(hydroxymethyl)-3-nonanoyloxypropyl] (2R)-2-hexyldecanoate.
Chemical Property Profile of Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids
Property Insights of Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids
The XLogP value of 12.7222 indicates that Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.89 Ų indicates high polarity, suggesting Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids 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 Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids?
The CAS number of Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids is 71549-97-8.
What is the molecular formula of Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids?
The molecular formula of Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids is C53H100O11.
What is the molecular weight of Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids?
The molecular weight of Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids is 912.73 g/mol.
Where can I buy Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids?
You can request a quote for Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids?
Yes, KEHONG BIO provides custom synthesis services for Dipentaerythritol ester of nonanoic, heptanoic, undecanoic and 2-hexyldecanoic acids and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.