Propylene glycol dicaprylate/dicaproate
TL;DR: Propylene glycol dicaprylate/dicaproate (CAS 68583-51-7) is a chemical compound with molecular formula C21H44O6 and molecular weight 392.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanoic acid;octanoic acid;propane-1,2-diol
Also Known As: VEGETABLE OIL, decanoic acid;octanoic acid;propane-1,2-diol, Propylene glycol dicaprylate/dicaproate, Decanoic acid, mixed diesters with octanoic acid and propylene glycol, Propylene glycol dicaprylate-caprate
| Molecular Formula | C21H44O6 |
|---|---|
| Molecular Weight | 392.31 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 392.31378 |
| Heavy Atoms | 27 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 68583-51-7 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CC(CO)O |
| InChIKey | YZWQUQVFVLJWCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propylene glycol dicaprylate/dicaproate (CAS 68583-51-7), with molecular formula C21H44O6 and molecular weight 392.31 g/mol. IUPAC: decanoic acid;octanoic acid;propane-1,2-diol.
Chemical Property Profile of Propylene glycol dicaprylate/dicaproate
Property Insights of Propylene glycol dicaprylate/dicaproate
The XLogP value of 5.0 indicates that Propylene glycol dicaprylate/dicaproate 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 Propylene glycol dicaprylate/dicaproate. Following Lipinski's Rule of Five, Propylene glycol dicaprylate/dicaproate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propylene glycol dicaprylate/dicaproate?
The CAS number of Propylene glycol dicaprylate/dicaproate is 68583-51-7.
What is the molecular formula of Propylene glycol dicaprylate/dicaproate?
The molecular formula of Propylene glycol dicaprylate/dicaproate is C21H44O6.
What is the molecular weight of Propylene glycol dicaprylate/dicaproate?
The molecular weight of Propylene glycol dicaprylate/dicaproate is 392.31 g/mol.
Where can I buy Propylene glycol dicaprylate/dicaproate?
You can request a quote for Propylene glycol dicaprylate/dicaproate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propylene glycol dicaprylate/dicaproate?
Yes, KEHONG BIO provides custom synthesis services for Propylene glycol dicaprylate/dicaproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.