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CAS 108273-89-8 1-PENTADECANOYL-2-HYDROXY-SN-GLYCERO-3-PHOSPHOCHOLINE molecular structure lightbox
CAS RN: 108273-89-8

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

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 1mg / 5mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS108273-89-8
  • Purity/Analytical Methods: >99.0%
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108273-89-8 / [(2R)-2-hydroxy-3-pentadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

1-pentadecanoyl-sn-glycero-3-phosphocholine | LPC(15:0) | PC(15:0/0:0)

Standard CAS: 108273-89-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
108273-89-8
Multi CAS
Yes
Molecular Formula
C23H48NO7P
Molecular Weight
481.600000
Exact Mass
481.316840
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C23H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)29-20-22(25)21-31-32(27,28)30-19-18-24(2,3)4/h22,25H,5-21H2,1-4H3/t22-/m1/s1
InChIKey
RJZVWDTYEWCUAR-JOCHJYFZSA-N
Synonyms
1-pentadecanoyl-sn-glycero-3-phosphocholine LPC(15:0) PC(15:0/0:0) CHEBI:131924 RefChem:1094340

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.96
Rotatable bonds
22
H-bond acceptors
7
H-bond donors
1
Molar refractivity
125.07
TPSA
105.12

LogP / Solubility

WLOGP
4.19
MLOGP
3.72
XLogP3
5
Consensus LogP
4.3
Log S (ESOL)
-4.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.91
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)
-2.68

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

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