CAS RN: 917-64-6
Methylmagnesium Iodide (33% in Ethyl Ether, ca. 2mol/L)
Product Availability
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2 package records2 with current stock1 grade group
- Product code: ICTM0364
917-64-6 / magnesium;carbanide;iodide
Basic Information
CAS
917-64-6
Multi CAS
Yes
Molecular Formula
CH3IMg
Molecular Weight
166.240000
Exact Mass
165.912990
InChI
InChI=1S/CH3.HI.Mg/h1H3;1H;/q-1;;+2/p-1
InChIKey
VXWPONVCMVLXBW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
3
H-bond acceptors
2
Molar refractivity
12.17
TPSA
0.0000
LogP / Solubility
WLOGP
-2.93
MLOGP
-2.58
XLogP3
-2.93
Consensus LogP
-2.81
Log S (ESOL)
0.97
Class (ESOL)
Highly soluble
Log S (Ali)
1.19
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.69
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)
-5.81
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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