CAS RN: 13428-80-3

HAFNIUM ETHOXIDE

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3 package records3 with current stock2 grade groups
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  • Product code: starshine_CAS13428-80-3
  • Purity/Analytical Methods: >99.0%
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13428-80-3 / ethanolate;hafnium(4+)

Standard CAS: 13428-80-3 Multi CAS: No

Basic Information

CAS
13428-80-3
Multi CAS
No
Molecular Formula
C8H20HfO4
Molecular Weight
358.730000
Exact Mass
360.082720
SMILES
CC[O-].CC[O-].CC[O-].CC[O-].[Hf+4]
InChI
InChI=1S/4C2H5O.Hf/c4*1-2-3;/h4*2H2,1H3;/q4*-1;+4
InChIKey
BFIMXCBKRLYJQO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
H-bond acceptors
4
Molar refractivity
42.16
TPSA
92.24

LogP / Solubility

WLOGP
-2.54
MLOGP
-2.21
XLogP3
-2.54
Consensus LogP
-2.43
Log S (ESOL)
-0.47
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.11
Class (SILICOS-IT)
Highly 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)
-6.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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