3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)
TL;DR: 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) (CAS 94086-57-4) is a chemical compound with molecular formula C39H65O8P and molecular weight 692.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Also Known As: EINECS 301-845-0, PA 36:6, PA 18:3_18:3, 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate), 3-1,2-propanediylbis[-9,12,15-octadecatrienoate]
| Molecular Formula | C39H65O8P |
|---|---|
| Molecular Weight | 692.44 g/mol |
| LogP | 10.7297 |
| Topological Polar Surface Area | 119.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 32 |
| Exact Mass | 692.4417 |
| Heavy Atoms | 48 |
| Complexity | 1005.456 |
Chemical Identifiers
| CAS Number | 94086-57-4 |
|---|---|
| SMILES | CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC |
Product Overview
3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) (CAS 94086-57-4), with molecular formula C39H65O8P and molecular weight 692.44 g/mol. IUPAC: [2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-phosphonooxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate.
Chemical Property Profile of 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)
Property Insights of 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)
The XLogP value of 10.7297 indicates that 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate). Following Lipinski's Rule of Five, 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) has 2 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-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)?
The CAS number of 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) is 94086-57-4.
What is the molecular formula of 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)?
The molecular formula of 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) is C39H65O8P.
What is the molecular weight of 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)?
The molecular weight of 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) is 692.44 g/mol.
Where can I buy 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)?
You can request a quote for 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate)?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phosphonooxy)-1,2-propanediyl bis((9Z,12Z,15Z)-9,12,15-octadecatrienoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.