CAS RN: 14434-22-1
Sodium hexacyanoferrate(II) decahydrate
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS14434-22-1
- Purity/Analytical Methods: >99.0%
14434-22-1 / tetrasodium;iron(2+);hexacyanide;decahydrate
Basic Information
CAS
14434-22-1
Multi CAS
No
Molecular Formula
C6H20FeN6Na4O10
Molecular Weight
484.060000
Exact Mass
484.018104
SMILES
[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+].[Fe+2]
InChI
InChI=1S/6CN.Fe.4Na.10H2O/c6*1-2;;;;;;;;;;;;;;;/h;;;;;;;;;;;10*1H2/q6*-1;+2;4*+1;;;;;;;;;;
InChIKey
JFSUDVTVQZUDOP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
H-bond acceptors
6
H-bond donors
10
Molar refractivity
65.95
TPSA
457.74
LogP / Solubility
WLOGP
-19.66
MLOGP
-17.26
XLogP3
-19.66
Consensus LogP
-18.86
Log S (ESOL)
9.54
Class (ESOL)
Highly soluble
Log S (Ali)
10.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
13.51
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)
-19.63
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
2.5
Safety & Transport
GHS Hazard Statements
H412 (34.6%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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