Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid
TL;DR: Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid (CAS 71549-96-7) is a chemical compound with molecular formula C37H70O10 and molecular weight 674.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[2,2-bis(hydroxymethyl)-3-nonanoyloxypropoxy]methyl]-2-(heptanoyloxymethyl)-3-hydroxypropyl] undecanoate
Also Known As: Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid, Dipentaerythritol ester of heptanoic, nonanoic, and undecanoic acids, Undecanoic acid mixed esters with dipentaerythritol heptanoic acid and nonanoic acid, [2-[[2,2-bis(hydroxymethyl)-3-nonanoyloxypropoxy]methyl]-2-(heptanoyloxymethyl)-3-hydroxypropyl] undecanoate, 2-{[2,2-Bis(hydroxymethyl)-3-(nonanoyloxy)propoxy]methyl}-2-[(heptanoyloxy)methyl]-3-hydroxypropyl undecanoate
| Molecular Formula | C37H70O10 |
|---|---|
| Molecular Weight | 674.50 g/mol |
| LogP | 6.8341 |
| Topological Polar Surface Area | 148.82 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 34 |
| Exact Mass | 674.4969 |
| Heavy Atoms | 47 |
| Complexity | 770.2339 |
Chemical Identifiers
| CAS Number | 71549-96-7 |
|---|---|
| SMILES | CCCCCCCCCCC(=O)OCC(CO)(COCC(CO)(CO)COC(=O)CCCCCCCC)COC(=O)CCCCCC |
Product Overview
Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid (CAS 71549-96-7), with molecular formula C37H70O10 and molecular weight 674.50 g/mol. IUPAC: [2-[[2,2-bis(hydroxymethyl)-3-nonanoyloxypropoxy]methyl]-2-(heptanoyloxymethyl)-3-hydroxypropyl] undecanoate.
Chemical Property Profile of Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid
Property Insights of Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid
The XLogP value of 6.8341 indicates that Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.82 Ų indicates high polarity, suggesting Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid has 3 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 Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid?
The CAS number of Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid is 71549-96-7.
What is the molecular formula of Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid?
The molecular formula of Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid is C37H70O10.
What is the molecular weight of Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid?
The molecular weight of Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid is 674.50 g/mol.
Where can I buy Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid?
You can request a quote for Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Undecanoic acid, mixed esters with dipentaerythritol, heptanoic acid and nonanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.