Pentaerythrityl tetracaprylate
TL;DR: Pentaerythrityl tetracaprylate (CAS 3008-50-2) is a chemical compound with molecular formula C37H68O8 and molecular weight 640.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate
Also Known As: Pentaerythritol tetracaprylate, pentaerythrityl tetracaprylate, Pentaerythritol tetraoctanoate, pentaerythritol octanoate, pentaerythritoltetraoctanoat
| Molecular Formula | C37H68O8 |
|---|---|
| Molecular Weight | 640.49 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 36 |
| Exact Mass | 640.4914 |
| Heavy Atoms | 45 |
| Complexity | 625.0 |
Chemical Identifiers
| CAS Number | 3008-50-2 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC |
| InChIKey | CFRNDJFRRKMHTL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythrityl tetracaprylate (CAS 3008-50-2), with molecular formula C37H68O8 and molecular weight 640.49 g/mol. IUPAC: [3-octanoyloxy-2,2-bis(octanoyloxymethyl)propyl] octanoate.
Chemical Property Profile of Pentaerythrityl tetracaprylate
Property Insights of Pentaerythrityl tetracaprylate
The XLogP value of 11.9 indicates that Pentaerythrityl tetracaprylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythrityl tetracaprylate. Following Lipinski's Rule of Five, Pentaerythrityl tetracaprylate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythrityl tetracaprylate?
The CAS number of Pentaerythrityl tetracaprylate is 3008-50-2.
What is the molecular formula of Pentaerythrityl tetracaprylate?
The molecular formula of Pentaerythrityl tetracaprylate is C37H68O8.
What is the molecular weight of Pentaerythrityl tetracaprylate?
The molecular weight of Pentaerythrityl tetracaprylate is 640.49 g/mol.
Where can I buy Pentaerythrityl tetracaprylate?
You can request a quote for Pentaerythrityl tetracaprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythrityl tetracaprylate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythrityl tetracaprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.