CAS RN: 14284-95-8
TERBIUM ACETYLACETONATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS14284-95-8
- Purity/Analytical Methods: >99.0%
14284-95-8 / tris(pentane-2,4-dione);terbium(3+)
Basic Information
CAS
14284-95-8
Multi CAS
No
Molecular Formula
C15H21O6Tb
Molecular Weight
456.250000
Exact Mass
456.059170
SMILES
CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Tb+3]
InChI
InChI=1S/3C5H7O2.Tb/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/q3*-1;+3
InChIKey
MAPWZFZLNRMAMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
6
Molar refractivity
76.99
TPSA
102.42
LogP / Solubility
WLOGP
1.11
MLOGP
1
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.26
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-4.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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