CAS RN: 74389-68-7

Platelet Activating Factor-16

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  • Product code: starshine_CAS74389-68-7
  • Purity/Analytical Methods: >99.0%
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74389-68-7 / (2-acetyloxy-3-hexadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate

Standard CAS: 74389-68-7 Multi CAS: Yes

Basic Information

CAS
74389-68-7
Multi CAS
Yes
Molecular Formula
C26H54NO7P
Molecular Weight
523.700000
Exact Mass
523.363790
InChI
InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3
InChIKey
HVAUUPRFYPCOCA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.96
Rotatable bonds
25
H-bond acceptors
7
Molar refractivity
139.09
TPSA
94.12

LogP / Solubility

WLOGP
5.62
MLOGP
4.99
XLogP3
6.5
Consensus LogP
5.7
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.73
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)
-1.92

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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