CAS RN: 26662-95-3
1-Palmitoyl-2-linoleoyl PE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260504 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai, Shandong, Chongqing, Hebei | Inquiry |
- Product code: starshine_CAS26662-95-3
- Purity/Analytical Methods: >99.0%
26662-95-3 / [1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] octadeca-9,12-dienoate
Basic Information
CAS
26662-95-3
Multi CAS
No
Molecular Formula
C39H74NO8P
Molecular Weight
716.000000
Exact Mass
715.515205
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC
InChI
InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,37H,3-10,12,14-16,19-36,40H2,1-2H3,(H,43,44)/b13-11-,18-17-/t37-/m1/s1
InChIKey
HBZNVZIRJWODIB-NHCUFCNUSA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Fraction Csp3
0.85
Rotatable bonds
37
H-bond acceptors
8
H-bond donors
2
Molar refractivity
201.29
TPSA
134.38
LogP / Solubility
WLOGP
10.83
MLOGP
9.59
XLogP3
9.7
Consensus LogP
10.04
Log S (ESOL)
-8.66
Class (ESOL)
Insoluble
Log S (Ali)
-13.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.74
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
