CAS RN: 6921-34-2
Benzylmagnesium Chloride (ca. 16% in Tetrahydrofuran, ca. 1mol/L)
Product Availability
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6 package records5 with current stock2 grade groups
- Product code: ICTB1933
6921-34-2 / magnesium;methanidylbenzene;chloride
Basic Information
CAS
6921-34-2
Multi CAS
Yes
Molecular Formula
C7H7CLMG
Molecular Weight
150.890000
Exact Mass
150.008670
InChI
InChI=1S/C7H7.ClH.Mg/c1-7-5-3-2-4-6-7;;/h2-6H,1H2;1H;/q-1;;+2/p-1
InChIKey
SCEZYJKGDJPHQO-UHFFFAOYSA-M
Physical Properties
Physical Description
30-50% solution in tetrahydrofuran: Clear liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
2
Molar refractivity
36.66
TPSA
0.0000
LogP / Solubility
WLOGP
-1.51
MLOGP
-1.33
XLogP3
-1.51
Consensus LogP
-1.45
Log S (ESOL)
-0.32
Class (ESOL)
Very soluble
Log S (Ali)
0.29
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.61
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)
-4.71
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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