CAS RN: 7321-53-1
Iron(III) 2-ethylhexanoate
Product Availability
Choose a grade to view its available package options.
7 package records4 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260427 | 50g / 250g / 1kg / 5kg | Confirm by inquiry | Shanghai, Shandong, Hebei | Inquiry |
- Product code: starshine_CAS7321-53-1
- Purity/Analytical Methods: >99.0%
7321-53-1 / tris(2-ethylhexanoate);iron(3+)
Basic Information
CAS
7321-53-1
Multi CAS
Yes
Molecular Formula
C24H45FEO6
Molecular Weight
485.500000
Exact Mass
485.256550
InChI
InChI=1S/3C8H16O2.Fe/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);/q;;;+3/p-3
InChIKey
ULUYRVWYCIOFRV-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.88
Rotatable bonds
15
H-bond acceptors
6
Molar refractivity
114.94
TPSA
120.39
LogP / Solubility
WLOGP
2.86
MLOGP
2.55
XLogP3
2.86
Consensus LogP
2.76
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.99
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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