Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester
TL;DR: Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester (CAS 60130-68-9) is a chemical compound with molecular formula C24H48O4 and molecular weight 400.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-bis(hydroxymethyl)butyl octadecanoate
Also Known As: Trimethylolpropane monostearate, hydroxyzinc(II), 2,2-bis(hydroxymethyl)butyl octadecanoate, PENTAERYTHRITOL MONOSTEARATE, PENTAERYTHRITOLMONOSTEARATE
| Molecular Formula | C24H48O4 |
|---|---|
| Molecular Weight | 400.36 g/mol |
| LogP | 8.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Exact Mass | 400.35526 |
| Heavy Atoms | 28 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 60130-68-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(CC)(CO)CO |
| InChIKey | WZUNUACWCJJERC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester (CAS 60130-68-9), with molecular formula C24H48O4 and molecular weight 400.36 g/mol. IUPAC: 2,2-bis(hydroxymethyl)butyl octadecanoate.
Chemical Property Profile of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester
Property Insights of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester
The XLogP value of 8.2 indicates that Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester. Following Lipinski's Rule of Five, Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
The CAS number of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester is 60130-68-9.
What is the molecular formula of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
The molecular formula of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester is C24H48O4.
What is the molecular weight of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
The molecular weight of Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester is 400.36 g/mol.
Where can I buy Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
You can request a quote for Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 2,2-bis(hydroxymethyl)butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.