CAS RN: 14762-49-3

Gibbsite (Al(OH)3)

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  • Product code: starshine_CAS14762-49-3
  • Purity/Analytical Methods: >99.0%
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14762-49-3 / Gibbsite (Al(OH)3)

Standard CAS: 14762-49-3 Multi CAS: No

Basic Information

CAS
14762-49-3
Multi CAS
No
Molecular Formula
AlH6O3
Molecular Weight
81.028000
Exact Mass
81.013233
SMILES
O.O.O.[Al]
InChI
InChI=1S/Al.3H2O/h;3*1H2
InChIKey
MXRIRQGCELJRSN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
16.6
TPSA
94.5

LogP / Solubility

WLOGP
-2.85
MLOGP
-2.53
XLogP3
-2.85
Consensus LogP
-2.74
Log S (ESOL)
1.46
Class (ESOL)
Highly soluble
Log S (Ali)
1.84
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.18
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
Leadlikeness
No
Synthetic Accessibility
1

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