CAS RN: 20559-18-6

L-ALPHA-LYSOPHOSPHATIDYLCHOLINE, LAUROYL

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9 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250123 100mg In stock Shandong Inquiry
Batchno.20260608 25mg In stock Shandong, Chongqing Inquiry
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Batchno.20251011 100mg In stock Inquiry
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Batchno.20250131 1g In stock Tianjin, Chengdu Inquiry
Batchno.20250707 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250610 50mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: starshine_CAS20559-18-6
  • Purity/Analytical Methods: >99.0%
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20559-18-6 / [(2R)-3-dodecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 20559-18-6 Multi CAS: No

Basic Information

CAS
20559-18-6
Multi CAS
No
Molecular Formula
C20H42NO7P
Molecular Weight
439.500000
Exact Mass
439.269890
SMILES
CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C20H42NO7P/c1-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21(2,3)4/h19,22H,5-18H2,1-4H3/t19-/m1/s1
InChIKey
BWKILASWCLJPBO-LJQANCHMSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.95
Rotatable bonds
19
H-bond acceptors
7
H-bond donors
1
Molar refractivity
111.22
TPSA
105.12

LogP / Solubility

WLOGP
3.02
MLOGP
2.69
XLogP3
3.4
Consensus LogP
3.04
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.3
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)
-3.26

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
3.5

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