[email protected]
CAS 22252-07-9 1-LINOLEOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHORYLCHOLINE molecular structure lightbox
CAS RN: 22252-07-9

1-LINOLEOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHORYLCHOLINE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250811 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS22252-07-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

22252-07-9 / [(2R)-2-hydroxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 22252-07-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22252-07-9
Multi CAS
No
Molecular Formula
C26H50NO7P
Molecular Weight
519.700000
Exact Mass
519.332490
SMILES
CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C26H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h9-10,12-13,25,28H,5-8,11,14-24H2,1-4H3/b10-9-,13-12-/t25-/m1/s1
InChIKey
SPJFYYJXNPEZDW-FTJOPAKQSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.81
Rotatable bonds
23
H-bond acceptors
7
H-bond donors
1
Molar refractivity
138.73
TPSA
105.12

LogP / Solubility

WLOGP
4.91
MLOGP
4.36
XLogP3
5
Consensus LogP
4.76
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.87
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us