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CAS 14863-27-5 1-Palmitoyl-Lysolecithin,Synthetic molecular structure lightbox
CAS RN: 14863-27-5

1-Palmitoyl-Lysolecithin,Synthetic

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Batchno.20250730 25g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS14863-27-5
  • Purity/Analytical Methods: >99.0%
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14863-27-5 / (3-hexadecanoyloxy-2-hydroxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 14863-27-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14863-27-5
Multi CAS
No
Molecular Formula
C24H50NO7P
Molecular Weight
495.600000
Exact Mass
495.332490
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O
InChI
InChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3
InChIKey
ASWBNKHCZGQVJV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.96
Rotatable bonds
23
H-bond acceptors
7
H-bond donors
1
Molar refractivity
129.69
TPSA
105.12

LogP / Solubility

WLOGP
4.58
MLOGP
4.07
XLogP3
5.6
Consensus LogP
4.75
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.44
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)
-2.49

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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