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CAS 22556-62-3 1-Oleoyl lysophosphatidic acid sodium salt molecular structure lightbox
CAS RN: 22556-62-3

1-Oleoyl lysophosphatidic acid sodium salt

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251008 1mg Out of stock Inquiry
Batchno.20251108 5mg Out of stock Inquiry
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Batchno.20250208 1mg In stock Shanghai, Guangdong Inquiry
Batchno.20250129 25mg In stock Shanghai, Hebei Inquiry
Batchno.20250407 5mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS22556-62-3
  • Purity/Analytical Methods: >99.0%
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22556-62-3 / sodium;hydride;(2-hydroxy-3-phosphonooxypropyl) (E)-octadec-9-enoate

Standard CAS: 22556-62-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
22556-62-3
Multi CAS
No
Molecular Formula
C21H42NaO7P
Molecular Weight
460.500000
Exact Mass
460.256585
SMILES
[H-].CCCCCCCC/C=C/CCCCCCCC(=O)OCC(COP(=O)(O)O)O.[Na+]
InChI
InChI=1S/C21H41O7P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26;/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26);/q;+1/p-1/b10-9-;
InChIKey
XGRLSUFHELJJAB-KVVVOXFISA-M

Computed Properties

Structural Parameters

Heavy atom count
30
Fraction Csp3
0.86
Rotatable bonds
20
H-bond acceptors
5
H-bond donors
3
Molar refractivity
115.53
TPSA
113.29

LogP / Solubility

WLOGP
2.15
MLOGP
1.93
XLogP3
2.15
Consensus LogP
2.08
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.89
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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