1-Palmitin-2-Olein-3-Linolenin
TL;DR: 1-Palmitin-2-Olein-3-Linolenin (CAS 78144-20-4) is a chemical compound with molecular formula C55H98O6 and molecular weight 854.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-hexadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate
Also Known As: 1-Palmitin-2-Olein-3-Linolenin, 1-Palmitoyl-2-oleoyl-3-linolenoyl-rac-glycerol, J1.031.092J, J1.359.148B, J2.545.266F
| Molecular Formula | C55H98O6 |
|---|---|
| Molecular Weight | 854.74 g/mol |
| LogP | 17.0929 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 47 |
| Exact Mass | 854.7363 |
| Heavy Atoms | 61 |
| Complexity | 1074.1997 |
Chemical Identifiers
| CAS Number | 78144-20-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
1-Palmitin-2-Olein-3-Linolenin (CAS 78144-20-4), with molecular formula C55H98O6 and molecular weight 854.74 g/mol. IUPAC: [1-hexadecanoyloxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-octadec-9-enoate.
Chemical Property Profile of 1-Palmitin-2-Olein-3-Linolenin
Property Insights of 1-Palmitin-2-Olein-3-Linolenin
The XLogP value of 17.0929 indicates that 1-Palmitin-2-Olein-3-Linolenin 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 1-Palmitin-2-Olein-3-Linolenin. Following Lipinski's Rule of Five, 1-Palmitin-2-Olein-3-Linolenin 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 1-Palmitin-2-Olein-3-Linolenin?
The CAS number of 1-Palmitin-2-Olein-3-Linolenin is 78144-20-4.
What is the molecular formula of 1-Palmitin-2-Olein-3-Linolenin?
The molecular formula of 1-Palmitin-2-Olein-3-Linolenin is C55H98O6.
What is the molecular weight of 1-Palmitin-2-Olein-3-Linolenin?
The molecular weight of 1-Palmitin-2-Olein-3-Linolenin is 854.74 g/mol.
Where can I buy 1-Palmitin-2-Olein-3-Linolenin?
You can request a quote for 1-Palmitin-2-Olein-3-Linolenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Palmitin-2-Olein-3-Linolenin?
Yes, KEHONG BIO provides custom synthesis services for 1-Palmitin-2-Olein-3-Linolenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.