CAS RN: 28105-87-5
PRASEODYMIUM(III) ACETYLACETONATE HYDRA&
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS28105-87-5
- Purity/Analytical Methods: >99.0%
28105-87-5 / tris(pentane-2,4-dione);praseodymium(3+);hydrate
Basic Information
CAS
28105-87-5
Multi CAS
Yes
Molecular Formula
C15H23O7Pr
Molecular Weight
456.250000
Exact Mass
456.052040
InChI
InChI=1S/3C5H7O2.H2O.Pr/c3*1-4(6)3-5(2)7;;/h3*3H,1-2H3;1H2;/q3*-1;;+3
InChIKey
VZTJCWSIKBSIGG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
80.6
TPSA
133.92
LogP / Solubility
WLOGP
0.28
MLOGP
0.28
XLogP3
0.28
Consensus LogP
0.28
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.58
Class (SILICOS-IT)
Poorly soluble
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
No
Log Kp (skin permeation)
-5.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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