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CAS 13943-58-3 Tetrapotassium hexacyanoferrate trihydrate molecular structure lightbox
CAS RN: 13943-58-3

Tetrapotassium hexacyanoferrate trihydrate

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  • Product code: starshine_CAS13943-58-3
  • Purity/Analytical Methods: >99.0%
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13943-58-3 / tetrapotassium;iron(2+);hexacyanide

Standard CAS: 13943-58-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
13943-58-3
Multi CAS
No
Molecular Formula
C6FeK4N6
Molecular Weight
368.340000
Exact Mass
367.808206
SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[K+].[K+].[K+].[K+].[Fe+2]
InChI
InChI=1S/6CN.Fe.4K/c6*1-2;;;;;/q6*-1;+2;4*+1
InChIKey
XOGGUFAVLNCTRS-UHFFFAOYSA-N

Physical Properties

Physical Description
Lemon yellow crystals Yellow odorless powder; Soluble in water; Sensitive to light
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
17
H-bond acceptors
6
Molar refractivity
29.81
TPSA
142.74

LogP / Solubility

WLOGP
-11.41
MLOGP
-10.02
XLogP3
-11.41
Consensus LogP
-10.95
Log S (ESOL)
5.06
Class (ESOL)
Highly soluble
Log S (Ali)
5.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
7.41
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)
-13.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (72.6%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (11.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501 P273, and P501

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