CAS RN: 44767-62-6

Hexylmagnesium chloride

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6 package records3 with current stock4 grade groups
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  • Product code: starshine_CAS44767-62-6
  • Purity/Analytical Methods: >99.0%
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44767-62-6 / magnesium;hexane;chloride

Standard CAS: 44767-62-6 Multi CAS: Yes

Basic Information

CAS
44767-62-6
Multi CAS
Yes
Molecular Formula
C6H13CLMG
Molecular Weight
144.920000
Exact Mass
144.055620
InChI
InChI=1S/C6H13.ClH.Mg/c1-3-5-6-4-2;;/h1,3-6H2,2H3;1H;/q-1;;+2/p-1
InChIKey
GBRJQTLHXWRDOV-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
35.25
TPSA
0.0000

LogP / Solubility

WLOGP
-0.98
MLOGP
-0.87
XLogP3
-0.98
Consensus LogP
-0.94
Log S (ESOL)
0.07
Class (ESOL)
Highly soluble
Log S (Ali)
-0.04
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.15
Class (SILICOS-IT)
Very 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)
-4.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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