CAS RN: 2386-64-3
Ethylmagnesium Chloride (ca. 18% in Tetrahydrofuran, ca. 2mol/L)
Product Availability
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3 package records3 with current stock1 grade group
- Product code: ICTE0135
2386-64-3 / magnesium;ethane;chloride
Basic Information
CAS
2386-64-3
Multi CAS
No
Molecular Formula
C2H5ClMg
Molecular Weight
88.820000
Exact Mass
87.993020
SMILES
C[CH2-].[Mg+2].[Cl-]
InChI
InChI=1S/C2H5.ClH.Mg/c1-2;;/h1H2,2H3;1H;/q-1;;+2/p-1
InChIKey
YCCXQARVHOPWFJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
0.5
H-bond acceptors
2
Molar refractivity
16.79
TPSA
0.0000
LogP / Solubility
WLOGP
-2.54
MLOGP
-2.25
XLogP3
-2.54
Consensus LogP
-2.44
Log S (ESOL)
1.21
Class (ESOL)
Highly soluble
Log S (Ali)
1.54
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.87
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)
-5.06
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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