CAS RN: 77299-63-9
Lithium diisobutyl-tert-butoxyaluminum hydride
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS77299-63-9
- Purity/Analytical Methods: >99.0%
77299-63-9 / Lithium diisobutyl-tert-butoxyaluminum hydride
Basic Information
CAS
77299-63-9
Multi CAS
Yes
Molecular Formula
AlC12H27LiO
Molecular Weight
221.300000
Exact Mass
221.203732
InChI
InChI=1S/C4H9O.2C4H9.Al.Li/c1-4(2,3)5;2*1-4(2)3;;/h1-3H3;2*4H,1H2,2-3H3;;/q-1;;;;+1
InChIKey
HTCGTPMYJVLOJV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
65.88
TPSA
9.23
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
1.11
Consensus LogP
1.07
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.18
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 77307-50-7
- Product Code: starshine_CAS77307-50-7
- Purity/Analytical method: >99.0%
