CAS RN: 56797-01-4
CERIUM(III) 2-ETHYLHEXANOATE
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS56797-01-4
- Purity/Analytical Methods: >99.0%
56797-01-4 / cerium(3+);tris(2-ethylhexanoate)
Basic Information
CAS
56797-01-4
Multi CAS
Yes
Molecular Formula
C24H45CEO6
Molecular Weight
569.700000
Exact Mass
569.227060
InChI
InChI=1S/3C8H16O2.Ce/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
InChIKey
GGVUYAXGAOIFIC-UHFFFAOYSA-K
Physical Properties
Physical Description
Other Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.88
Rotatable bonds
15
H-bond acceptors
6
Molar refractivity
114.94
TPSA
120.39
LogP / Solubility
WLOGP
2.86
MLOGP
2.56
XLogP3
2.86
Consensus LogP
2.76
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.54
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)
-4.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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