2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate
TL;DR: 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate (CAS 61361-83-9) is a chemical compound with molecular formula C25H48O6 and molecular weight 444.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(decanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] decanoate
Also Known As: pentaerythrityl dicaprate, Pentaerythritol dicaprate, Pentaerythritol didecanoate, EINECS 262-733-4, PENTAERYTHRITOL, DIDECANOATE
| Molecular Formula | C25H48O6 |
|---|---|
| Molecular Weight | 444.35 g/mol |
| LogP | 5.3252 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 22 |
| Exact Mass | 444.3451 |
| Heavy Atoms | 31 |
| Complexity | 397.72815 |
Chemical Identifiers
| CAS Number | 61361-83-9 |
|---|---|
| SMILES | CCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCC |
Product Overview
2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate (CAS 61361-83-9), with molecular formula C25H48O6 and molecular weight 444.35 g/mol. IUPAC: [2-(decanoyloxymethyl)-3-hydroxy-2-(hydroxymethyl)propyl] decanoate.
Chemical Property Profile of 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate
Property Insights of 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate
The XLogP value of 5.3252 indicates that 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate. Following Lipinski's Rule of Five, 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate 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)-1,3-propanediyl didecanoate?
The CAS number of 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate is 61361-83-9.
What is the molecular formula of 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate?
The molecular formula of 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate is C25H48O6.
What is the molecular weight of 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate?
The molecular weight of 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate is 444.35 g/mol.
Where can I buy 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate?
You can request a quote for 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate 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)-1,3-propanediyl didecanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Bis(hydroxymethyl)-1,3-propanediyl didecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.