CAS RN: 34962-29-3
IRON(II) ETHYLENEDIAMMONIUM SULFATE
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS34962-29-3
- Purity/Analytical Methods: >99.0%
34962-29-3 / 2-azaniumylethylazanium;iron(2+);disulfate
Basic Information
CAS
34962-29-3
Multi CAS
Yes
Molecular Formula
C2H10FEN2O8S2
Molecular Weight
310.100000
Exact Mass
309.922793
InChI
InChI=1S/C2H8N2.Fe.2H2O4S/c3-1-2-4;;2*1-5(2,3)4/h1-4H2;;2*(H2,1,2,3,4)/q;+2;;/p-2
InChIKey
KLLMHEWAYVXMSW-UHFFFAOYSA-L
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
8
H-bond donors
2
Molar refractivity
36.46
TPSA
215.8
LogP / Solubility
WLOGP
-5.21
MLOGP
-4.57
XLogP3
-5.21
Consensus LogP
-5
Log S (ESOL)
1.58
Class (ESOL)
Highly soluble
Log S (Ali)
1.66
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.53
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)
-8.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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