Decanoic acid, mixed esters with neopentyl glycol and octanoic acid
TL;DR: Decanoic acid, mixed esters with neopentyl glycol and octanoic acid (CAS 70693-32-2) is a chemical compound with molecular formula C23H48O6 and molecular weight 420.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanoic acid;2,2-dimethylpropane-1,3-diol;octanoic acid
Also Known As: Neopentyl glycol dicaprylate/dicaprate, Decanoic acid, mixed esters with neopentyl glycol and octanoic acid, EC 274-764-0, decanoic acid; 2,2-dimethylpropane-1,3-diol; octanoic acid, decanoic acid;2,2-dimethylpropane-1,3-diol;octanoic acid
| Molecular Formula | C23H48O6 |
|---|---|
| Molecular Weight | 420.35 g/mol |
| LogP | 5.64 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 420.3451 |
| Heavy Atoms | 29 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 70693-32-2 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(C)(CO)CO |
| InChIKey | PDYOTPOJFZAOIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Decanoic acid, mixed esters with neopentyl glycol and octanoic acid (CAS 70693-32-2), with molecular formula C23H48O6 and molecular weight 420.35 g/mol. IUPAC: decanoic acid;2,2-dimethylpropane-1,3-diol;octanoic acid.
Chemical Property Profile of Decanoic acid, mixed esters with neopentyl glycol and octanoic acid
Property Insights of Decanoic acid, mixed esters with neopentyl glycol and octanoic acid
The XLogP value of 5.64 indicates that Decanoic acid, mixed esters with neopentyl glycol and octanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Decanoic acid, mixed esters with neopentyl glycol and octanoic acid. Following Lipinski's Rule of Five, Decanoic acid, mixed esters with neopentyl glycol and octanoic acid has 4 hydrogen bond donor(s) and 6 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 neopentyl glycol and octanoic acid?
The CAS number of Decanoic acid, mixed esters with neopentyl glycol and octanoic acid is 70693-32-2.
What is the molecular formula of Decanoic acid, mixed esters with neopentyl glycol and octanoic acid?
The molecular formula of Decanoic acid, mixed esters with neopentyl glycol and octanoic acid is C23H48O6.
What is the molecular weight of Decanoic acid, mixed esters with neopentyl glycol and octanoic acid?
The molecular weight of Decanoic acid, mixed esters with neopentyl glycol and octanoic acid is 420.35 g/mol.
Where can I buy Decanoic acid, mixed esters with neopentyl glycol and octanoic acid?
You can request a quote for Decanoic acid, mixed esters with neopentyl glycol and octanoic 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 neopentyl glycol and octanoic acid?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, mixed esters with neopentyl glycol and octanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.