Pentaerythritol monostearate
TL;DR: Pentaerythritol monostearate (CAS 78-23-9) is a chemical compound with molecular formula C23H46O5 and molecular weight 402.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadecanoate
Also Known As: Gruenau S, Pentamull 6, PENTAERYTHRITOL MONOSTEARATE, pentaerythrityl stearate, Pentaerythritol stearate
| Molecular Formula | C23H46O5 |
|---|---|
| Molecular Weight | 402.33 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 22 |
| Exact Mass | 402.33453 |
| Heavy Atoms | 28 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 78-23-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)CO |
| InChIKey | TXQVDVNAKHFQPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaerythritol monostearate (CAS 78-23-9), with molecular formula C23H46O5 and molecular weight 402.33 g/mol. IUPAC: [3-hydroxy-2,2-bis(hydroxymethyl)propyl] octadecanoate.
Chemical Property Profile of Pentaerythritol monostearate
Property Insights of Pentaerythritol monostearate
The XLogP value of 6.6 indicates that Pentaerythritol monostearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentaerythritol monostearate. Following Lipinski's Rule of Five, Pentaerythritol monostearate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaerythritol monostearate?
The CAS number of Pentaerythritol monostearate is 78-23-9.
What is the molecular formula of Pentaerythritol monostearate?
The molecular formula of Pentaerythritol monostearate is C23H46O5.
What is the molecular weight of Pentaerythritol monostearate?
The molecular weight of Pentaerythritol monostearate is 402.33 g/mol.
Where can I buy Pentaerythritol monostearate?
You can request a quote for Pentaerythritol monostearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaerythritol monostearate?
Yes, KEHONG BIO provides custom synthesis services for Pentaerythritol monostearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.