CAS RN: 339527-86-5
POTASSIUM TETRACYANONICKELATE(II) HYDRATE
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS339527-86-5
- Purity/Analytical Methods: >99.0%
339527-86-5 / dipotassium;nickel(2+);tetracyanide;hydrate
Basic Information
CAS
339527-86-5
Multi CAS
Yes
Molecular Formula
C4H2IK2N5O
Molecular Weight
258.980000
Exact Mass
257.885615
InChI
InChI=1S/4CN.2K.Ni.H2O/c4*1-2;;;;/h;;;;;;;1H2/q4*-1;2*+1;+2;
InChIKey
VQZJEIWYJQFLFX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
H-bond acceptors
4
H-bond donors
1
Molar refractivity
23.49
TPSA
126.66
LogP / Solubility
WLOGP
-6.43
MLOGP
-5.65
XLogP3
-6.43
Consensus LogP
-6.17
Log S (ESOL)
2.61
Class (ESOL)
Highly soluble
Log S (Ali)
2.96
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
4
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)
-8.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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