CAS RN: 6063-89-4

DIMETHYLALUMINUM I-PROPOXIDE

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  • Product code: starshine_CAS6063-89-4
  • Purity/Analytical Methods: >99.0%
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6063-89-4 / dimethyl(propan-2-yloxy)alumane

Standard CAS: 6063-89-4 Multi CAS: Yes

Basic Information

CAS
6063-89-4
Multi CAS
Yes
Molecular Formula
AlC5H13O
Molecular Weight
116.140000
Exact Mass
116.078178
InChI
InChI=1S/C19H14BrClN2O5/c1-9-5-12(3-4-14(9)20)23-18(26)13(17(25)22-19(23)27)7-10-6-11(21)8-15(28-2)16(10)24/h3-8,24H,1-2H3,(H,22,25,27)/b13-7+
InChIKey
MNMGIIHDFQDVBS-NTUHNPAUSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
33.7
TPSA
9.23

LogP / Solubility

WLOGP
1.66
MLOGP
1.45
XLogP3
1.66
Consensus LogP
1.59
Log S (ESOL)
-1.48
Class (ESOL)
Soluble
Log S (Ali)
-1.71
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
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)
-2.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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