CAS RN: 5058-42-4
IRON(III) ETHOXIDE
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: starshine_CAS5058-42-4
- Purity/Analytical Methods: >99.0%
5058-42-4 / ethanolate;iron(3+)
Basic Information
CAS
5058-42-4
Multi CAS
Yes
Molecular Formula
C6H15FEO3
Molecular Weight
191.030000
Exact Mass
191.037055
InChI
InChI=1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
InChIKey
JTPUGUWXHGEEHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
1
H-bond acceptors
3
Molar refractivity
31.62
TPSA
69.18
LogP / Solubility
WLOGP
-1.9
MLOGP
-1.68
XLogP3
-1.9
Consensus LogP
-1.83
Log S (ESOL)
0.17
Class (ESOL)
Highly soluble
Log S (Ali)
0.25
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.68
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)
-5.24
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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