RefChem:131206
TL;DR: RefChem:131206 (CAS 68130-24-5) is a chemical compound with molecular formula C33H68O13 and molecular weight 672.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
decanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;octanoic acid;pentanoic acid
Also Known As: Dipentaerythritol valerate octanoate decanoate, Dipentaerythrityl hexacaprylate/hexacaprate, EC 270-470-1, Decanoic acid, mixed esters with dipentaerythritol, octanoic acid and valeric acid, DIPENTAERYTHRITYL HEXACAPRYLATE / HEXACAPRATE
| Molecular Formula | C33H68O13 |
|---|---|
| Molecular Weight | 672.47 g/mol |
| LogP | 3.83 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 27 |
| Exact Mass | 672.466 |
| Heavy Atoms | 46 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 68130-24-5 |
|---|---|
| SMILES | CCCCCCCCCC(=O)O.CCCCCCCC(=O)O.CCCCC(=O)O.C(C(CO)(CO)COCC(CO)(CO)CO)O |
| InChIKey | FBYYWBUKHICADY-UHFFFAOYSA-N |
Product Overview
RefChem:131206 (CAS 68130-24-5), with molecular formula C33H68O13 and molecular weight 672.47 g/mol. IUPAC: decanoic acid;2-[[3-hydroxy-2,2-bis(hydroxymethyl)propoxy]methyl]-2-(hydroxymethyl)propane-1,3-diol;octanoic acid;pentanoic acid.
Chemical Property Profile of RefChem:131206
Property Insights of RefChem:131206
The XLogP value of 3.83 indicates that RefChem:131206 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting RefChem:131206 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:131206 has 9 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:131206?
The CAS number of RefChem:131206 is 68130-24-5.
What is the molecular formula of RefChem:131206?
The molecular formula of RefChem:131206 is C33H68O13.
What is the molecular weight of RefChem:131206?
The molecular weight of RefChem:131206 is 672.47 g/mol.
Where can I buy RefChem:131206?
You can request a quote for RefChem:131206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:131206?
Yes, KEHONG BIO provides custom synthesis services for RefChem:131206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.