CAS RN: 920-39-8
Isopropylmagnesium Bromide (15% in Tetrahydrofuran, ca. 1mol/L)
Product Availability
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9 package records7 with current stock3 grade groups
- Product code: ICTI0518
920-39-8 / magnesium;propane;bromide
Basic Information
CAS
920-39-8
Multi CAS
Yes
Molecular Formula
C3H7BRMG
Molecular Weight
147.300000
Exact Mass
145.958150
InChI
InChI=1S/C3H7.BrH.Mg/c1-3-2;;/h3H,1-2H3;1H;/q-1;;+2/p-1
InChIKey
LVKCSZQWLOVUGB-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
21.4
TPSA
0.0000
LogP / Solubility
WLOGP
-2.15
MLOGP
-1.9
XLogP3
-2.15
Consensus LogP
-2.07
Log S (ESOL)
0.6
Class (ESOL)
Highly soluble
Log S (Ali)
0.78
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.16
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)
-5.14
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
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