3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate
TL;DR: 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate (CAS 94088-83-2) is a chemical compound with molecular formula C23H46O4 and molecular weight 386.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate
Also Known As: TRIMETHYLOLETHANE STEARATE, EINECS 302-086-8, 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate, 2,2-Bis(hydroxymethyl)-1-propanol 1-stearate, 3-HYDROXY-2-(HYDROXYMETHYL)-2-METHYLPROPYL OCTADECANOATE
| Molecular Formula | C23H46O4 |
|---|---|
| Molecular Weight | 386.34 g/mol |
| LogP | 5.782 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 386.3396 |
| Heavy Atoms | 27 |
| Complexity | 326.34003 |
Chemical Identifiers
| CAS Number | 94088-83-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO |
Product Overview
3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate (CAS 94088-83-2), with molecular formula C23H46O4 and molecular weight 386.34 g/mol. IUPAC: [3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] octadecanoate.
Chemical Property Profile of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate
Property Insights of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate
The XLogP value of 5.782 indicates that 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate. Following Lipinski's Rule of Five, 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate 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 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate?
The CAS number of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate is 94088-83-2.
What is the molecular formula of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate?
The molecular formula of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate is C23H46O4.
What is the molecular weight of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate?
The molecular weight of 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate is 386.34 g/mol.
Where can I buy 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate?
You can request a quote for 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-2-(hydroxymethyl)-2-methylpropyl stearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.