CAS RN: 3444-17-5
CHROMIUM (III) 2-ETHYLHEXANOATE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS3444-17-5
- Purity/Analytical Methods: >99.0%
3444-17-5 / chromium;2-ethylhexanoic acid
Basic Information
CAS
3444-17-5
Multi CAS
Yes
Molecular Formula
C8H16CRO2
Molecular Weight
196.210000
Exact Mass
196.055534
InChI
InChI=1S/3C8H16O2.Cr/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
WBKDDMYJLXVBNI-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
40.94
TPSA
37.3
LogP / Solubility
WLOGP
2.28
MLOGP
2.01
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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