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CAS 108341-80-6 1-ARACHIDOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure lightbox
CAS RN: 108341-80-6

1-ARACHIDOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHOCHOLINE

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250125 5mg / 25mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251008 25mg Out of stock Inquiry
Batchno.20250521 5mg In stock Inquiry
  • Product code: starshine_CAS108341-80-6
  • Purity/Analytical Methods: >99.0%
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108341-80-6 / [(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

1-eicosanoyl-sn-glycero-3-phosphocholine | [(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate | ((2R)-2-hydroxy-3-icosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 108341-80-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
108341-80-6
Multi CAS
Yes
Molecular Formula
C28H58NO7P
Molecular Weight
551.700000
Exact Mass
551.395090
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1
InChIKey
UATOAILWGVYRQS-HHHXNRCGSA-N
Synonyms
1-eicosanoyl-sn-glycero-3-phosphocholine [(2R)-2-hydroxy-3-icosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate ((2R)-2-hydroxy-3-icosanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate RefChem:1055356 1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
0.96
Rotatable bonds
27
H-bond acceptors
7
H-bond donors
1
Molar refractivity
148.16
TPSA
105.12

LogP / Solubility

WLOGP
6.14
MLOGP
5.45
XLogP3
7.7
Consensus LogP
6.43
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.58
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

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

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