2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate
TL;DR: 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate (CAS 25354-61-4) is a chemical compound with molecular formula C37H72O6 and molecular weight 612.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] hexadecanoate
Also Known As: Dipalmitoyl-pentaerythrit, pentaerythritol dipalmitate, Pentaerythritol dihexadecanoate, 2,2-bis propane-1,3-diyldipalmitate, 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate
| Molecular Formula | C37H72O6 |
|---|---|
| Molecular Weight | 612.53 g/mol |
| LogP | 13.4 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 36 |
| Exact Mass | 612.5329 |
| Heavy Atoms | 43 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 25354-61-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCC |
| InChIKey | QSLBMRULKKYEHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate (CAS 25354-61-4), with molecular formula C37H72O6 and molecular weight 612.53 g/mol. IUPAC: [2-(hexadecanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] hexadecanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate
Property Insights of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate
The XLogP value of 13.4 indicates that 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate?
The CAS number of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate is 25354-61-4.
What is the molecular formula of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate?
The molecular formula of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate is C37H72O6.
What is the molecular weight of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate?
The molecular weight of 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate is 612.53 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate?
You can request a quote for 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)propane-1,3-diyl dipalmitate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.