Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester
TL;DR: Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68238-91-5) is a chemical compound with molecular formula C51H98O6 and molecular weight 806.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(2-hexyldecanoyloxy)propyl 2-hexyldecanoate
Also Known As: Glycerol tri(2-hexyldecanoate), Glycerol tris(2-hexyldecanoate), 1,2,3-propanetriyltris, 1,2,3-Propanetriyl tris(2-hexyldecanoate), Propane-1,2,3-triyl tris(2-hexyldecanoate)
| Molecular Formula | C51H98O6 |
|---|---|
| Molecular Weight | 806.74 g/mol |
| LogP | 21.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 47 |
| Exact Mass | 806.7363 |
| Heavy Atoms | 57 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 68238-91-5 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCC)C(=O)OCC(COC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC |
| InChIKey | BXDHVEPMDVSCOF-UHFFFAOYSA-N |
Product Overview
Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester (CAS 68238-91-5), with molecular formula C51H98O6 and molecular weight 806.74 g/mol. IUPAC: 2,3-bis(2-hexyldecanoyloxy)propyl 2-hexyldecanoate.
Chemical Property Profile of Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester
Property Insights of Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester
The XLogP value of 21.5 indicates that Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester. Following Lipinski's Rule of Five, Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester has 0 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 Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
The CAS number of Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester is 68238-91-5.
What is the molecular formula of Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular formula of Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester is C51H98O6.
What is the molecular weight of Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
The molecular weight of Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester is 806.74 g/mol.
Where can I buy Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
You can request a quote for Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Decanoic acid, 2-hexyl-, 1,1',1''-(1,2,3-propanetriyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.