Tri-10(E),12(Z)-Octadecadienoin
TL;DR: Tri-10(E),12(Z)-Octadecadienoin (CAS 277744-17-9) is a chemical compound with molecular formula C57H98O6 and molecular weight 878.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-bis[[(9Z,11E)-octadeca-9,11-dienoyl]oxy]propyl (9Z,11E)-octadeca-9,11-dienoate
Also Known As: Tri-10(E),12(Z)-Octadecadienoin, 10,12-Octadecadienoic acid, 1,2,3-propanetriyl ester,(10E,10'E,10''E,12Z,12'Z,12''Z)-, 2,3-bis[[(9Z,11E)-octadeca-9,11-dienoyl]oxy]propyl (9Z,11E)-octadeca-9,11-dienoate
| Molecular Formula | C57H98O6 |
|---|---|
| Molecular Weight | 878.74 g/mol |
| LogP | 17.4251 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 47 |
| Exact Mass | 878.7363 |
| Heavy Atoms | 63 |
| Complexity | 1130.9196 |
Chemical Identifiers
| CAS Number | 277744-17-9 |
|---|---|
| SMILES | CCCCCC/C=C/C=C\CCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C\C=C\CCCCCC)COC(=O)CCCCCCC/C=C\C=C\CCCCCC |
Product Overview
Tri-10(E),12(Z)-Octadecadienoin (CAS 277744-17-9), with molecular formula C57H98O6 and molecular weight 878.74 g/mol. IUPAC: 2,3-bis[[(9Z,11E)-octadeca-9,11-dienoyl]oxy]propyl (9Z,11E)-octadeca-9,11-dienoate.
Chemical Property Profile of Tri-10(E),12(Z)-Octadecadienoin
Property Insights of Tri-10(E),12(Z)-Octadecadienoin
The XLogP value of 17.4251 indicates that Tri-10(E),12(Z)-Octadecadienoin 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 Tri-10(E),12(Z)-Octadecadienoin. Following Lipinski's Rule of Five, Tri-10(E),12(Z)-Octadecadienoin 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 Tri-10(E),12(Z)-Octadecadienoin?
The CAS number of Tri-10(E),12(Z)-Octadecadienoin is 277744-17-9.
What is the molecular formula of Tri-10(E),12(Z)-Octadecadienoin?
The molecular formula of Tri-10(E),12(Z)-Octadecadienoin is C57H98O6.
What is the molecular weight of Tri-10(E),12(Z)-Octadecadienoin?
The molecular weight of Tri-10(E),12(Z)-Octadecadienoin is 878.74 g/mol.
Where can I buy Tri-10(E),12(Z)-Octadecadienoin?
You can request a quote for Tri-10(E),12(Z)-Octadecadienoin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tri-10(E),12(Z)-Octadecadienoin?
Yes, KEHONG BIO provides custom synthesis services for Tri-10(E),12(Z)-Octadecadienoin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.