1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol
TL;DR: 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol (CAS 958775-77-4) is a chemical compound with molecular formula C57H104O6 and molecular weight 884.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl (Z)-octadec-6-enoate
Also Known As: 1,3-dioleoyl-2-petroselinoyl-sn-glycerol, 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol, TG(18:1/18:1/18:1), TG(18:1(9Z)/18:1(6Z)/18:1(9Z))
| Molecular Formula | C57H104O6 |
|---|---|
| Molecular Weight | 884.78 g/mol |
| LogP | 18.0971 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 50 |
| Exact Mass | 884.78326 |
| Heavy Atoms | 63 |
| Complexity | 1006.8407 |
Chemical Identifiers
| CAS Number | 958775-77-4 |
|---|---|
| SMILES | CCCCCCCCCCC/C=C\CCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC |
Product Overview
1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol (CAS 958775-77-4), with molecular formula C57H104O6 and molecular weight 884.78 g/mol. IUPAC: 1,3-bis[[(Z)-octadec-9-enoyl]oxy]propan-2-yl (Z)-octadec-6-enoate.
Chemical Property Profile of 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol
Property Insights of 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol
The XLogP value of 18.0971 indicates that 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol 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 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol. Following Lipinski's Rule of Five, 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol 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 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol?
The CAS number of 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol is 958775-77-4.
What is the molecular formula of 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol?
The molecular formula of 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol is C57H104O6.
What is the molecular weight of 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol?
The molecular weight of 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol is 884.78 g/mol.
Where can I buy 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol?
You can request a quote for 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol?
Yes, KEHONG BIO provides custom synthesis services for 1,3-di-(9Z-octadecenoyl)-2-(6Z-octadecenoyl)-glycerol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.