CAS RN: 60756-74-3

Glycerol Tri-.gamma.-Linolenoyl

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  • Product code: starshine_CAS60756-74-3
  • Purity/Analytical Methods: >99.0%
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60756-74-3 / 2,3-bis[[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy]propyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Standard CAS: 60756-74-3 Multi CAS: Yes

Basic Information

CAS
60756-74-3
Multi CAS
Yes
Molecular Formula
C57H92O6
Molecular Weight
873.300000
Exact Mass
872.689391
InChI
InChI=1S/C57H92O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,34-39,54H,4-15,22-24,31-33,40-53H2,1-3H3/b19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,37-34-,38-35-,39-36-
InChIKey
QTQWNJYEXZLCRR-OWSTVCCQSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
63
Fraction Csp3
0.63
Rotatable bonds
44
H-bond acceptors
6
Molar refractivity
269.59
TPSA
78.9

LogP / Solubility

WLOGP
16.75
MLOGP
14.82
XLogP3
18.3
Consensus LogP
16.62
Log S (ESOL)
-12.91
Class (ESOL)
Insoluble
Log S (Ali)
-18.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.85

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
4

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