Sucrose dicaprylate
TL;DR: Sucrose dicaprylate (CAS 58064-47-4) is a chemical compound with molecular formula C28H50O13 and molecular weight 594.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-hydroxy-5-(hydroxymethyl)-3-octanoyloxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octanoate
Also Known As: Sucrose dioctanoate, sucrose dicaprylate, sucrose octanoate esters, alpha-D-Glucopyranoside, beta-D-fructofuranosyl, dioctanoate, 4,6-di-o-octanoylhex-2-ulofuranosyl hexopyranoside
| Molecular Formula | C28H50O13 |
|---|---|
| Molecular Weight | 594.33 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 21 |
| Exact Mass | 594.32513 |
| Heavy Atoms | 41 |
| Complexity | 767.0 |
Chemical Identifiers
| CAS Number | 58064-47-4 |
|---|---|
| SMILES | CCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(O2)CO)O)O)O)O)OC(=O)CCCCCCC |
| InChIKey | CNKUKIOFIFZPTN-UHFFFAOYSA-N |
Product Overview
Sucrose dicaprylate (CAS 58064-47-4), with molecular formula C28H50O13 and molecular weight 594.33 g/mol. IUPAC: [4-hydroxy-5-(hydroxymethyl)-3-octanoyloxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methyl octanoate.
Chemical Property Profile of Sucrose dicaprylate
Property Insights of Sucrose dicaprylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sucrose dicaprylate. The TPSA of 202.0 Ų indicates high polarity, suggesting Sucrose dicaprylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sucrose dicaprylate has 6 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 Sucrose dicaprylate?
The CAS number of Sucrose dicaprylate is 58064-47-4.
What is the molecular formula of Sucrose dicaprylate?
The molecular formula of Sucrose dicaprylate is C28H50O13.
What is the molecular weight of Sucrose dicaprylate?
The molecular weight of Sucrose dicaprylate is 594.33 g/mol.
Where can I buy Sucrose dicaprylate?
You can request a quote for Sucrose dicaprylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sucrose dicaprylate?
Yes, KEHONG BIO provides custom synthesis services for Sucrose dicaprylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.