Triisononanoin
TL;DR: Triisononanoin (CAS 56554-53-1) is a chemical compound with molecular formula C30H56O6 and molecular weight 512.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate
Also Known As: Triisononanoin, Isodragol, DUB TING, glycerol triisononanoate, GLYCERYL TRIISONONANOATE
| Molecular Formula | C30H56O6 |
|---|---|
| Molecular Weight | 512.41 g/mol |
| LogP | 8.9 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 20 |
| Exact Mass | 512.4077 |
| Heavy Atoms | 36 |
| Complexity | 637.0 |
Chemical Identifiers
| CAS Number | 56554-53-1 |
|---|---|
| SMILES | CC(CC(=O)OCC(COC(=O)CC(C)CC(C)(C)C)OC(=O)CC(C)CC(C)(C)C)CC(C)(C)C |
| InChIKey | QNESDXMHQYMNGD-UHFFFAOYSA-N |
Product Overview
Triisononanoin (CAS 56554-53-1), with molecular formula C30H56O6 and molecular weight 512.41 g/mol. IUPAC: 2,3-bis(3,5,5-trimethylhexanoyloxy)propyl 3,5,5-trimethylhexanoate.
Chemical Property Profile of Triisononanoin
Property Insights of Triisononanoin
The XLogP value of 8.9 indicates that Triisononanoin 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 Triisononanoin. Following Lipinski's Rule of Five, Triisononanoin 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 Triisononanoin?
The CAS number of Triisononanoin is 56554-53-1.
What is the molecular formula of Triisononanoin?
The molecular formula of Triisononanoin is C30H56O6.
What is the molecular weight of Triisononanoin?
The molecular weight of Triisononanoin is 512.41 g/mol.
Where can I buy Triisononanoin?
You can request a quote for Triisononanoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Triisononanoin?
Yes, KEHONG BIO provides custom synthesis services for Triisononanoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.