![[3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate structure](/static/products/244/2442-53-7.png)
[3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate
TL;DR: [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate (CAS 2442-53-7) is a chemical compound with molecular formula C57H106O6 and molecular weight 886.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate
Also Known As: 1,2-Stearin-3-Linolein, Glycerol 1,2-distearate 3-linolate, 1,2-Distearoyl-3-Linoleoyl-rac-glycerol, 1-O,2-O-Distearoyl-3-O-linoleoylglycerol, J1.453.505E
| Molecular Formula | C57H106O6 |
|---|---|
| Molecular Weight | 886.80 g/mol |
| LogP | 18.3211 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 51 |
| Exact Mass | 886.79895 |
| Heavy Atoms | 63 |
| Complexity | 1020.09265 |
Chemical Identifiers
| CAS Number | 2442-53-7 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
Product Overview
[3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate (CAS 2442-53-7), with molecular formula C57H106O6 and molecular weight 886.80 g/mol. IUPAC: [3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate.
Chemical Property Profile of [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate
Property Insights of [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate
The XLogP value of 18.3211 indicates that [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate 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 [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate. Following Lipinski's Rule of Five, [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate 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 [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate?
The CAS number of [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate is 2442-53-7.
What is the molecular formula of [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate?
The molecular formula of [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate is C57H106O6.
What is the molecular weight of [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate?
The molecular weight of [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate is 886.80 g/mol.
Where can I buy [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate?
You can request a quote for [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate?
Yes, KEHONG BIO provides custom synthesis services for [3-[(9Z,12Z)-Octadeca-9,12-dienoyl]oxy-2-octadecanoyloxypropyl] octadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.