CAS RN: 1318-23-6
Boehmite
Product Availability
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2 package records0 with current stock1 grade group
- Product code: starshine_CAS1318-23-6
- Purity/Analytical Methods: >99.0%
1318-23-6 / aluminum;oxygen(2-);hydroxide
Basic Information
CAS
1318-23-6
Multi CAS
No
Molecular Formula
AlHO2
Molecular Weight
59.988000
Exact Mass
59.979193
SMILES
[OH-].[O-2].[Al+3]
InChI
InChI=1S/Al.H2O.O/h;1H2;/q+3;;-2/p-1
InChIKey
VXAUWWUXCIMFIM-UHFFFAOYSA-M
Physical Properties
Physical Description
Dry Powder, Pellets or Large Crystals; Pellets or Large Crystals; Other Solid; Dry Powder
Off-white odorless powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
8.38
TPSA
58.5
LogP / Solubility
WLOGP
-0.68
MLOGP
-0.61
XLogP3
-0.68
Consensus LogP
-0.66
Log S (ESOL)
0.21
Class (ESOL)
Highly soluble
Log S (Ali)
0.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.51
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 270 of 271 companies (only 0.4% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
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