CAS RN: 677-22-5
tert-Butylmagnesium Chloride (23% in Tetrahydrofuran, ca. 2mol/L)
Product Availability
Choose a grade to view its available package options.
12 package records10 with current stock4 grade groups
- Product code: ICTB1148
677-22-5 / magnesium;2-methylpropane;chloride
Basic Information
CAS
677-22-5
Multi CAS
Yes
Molecular Formula
C4H9CLMG
Molecular Weight
116.870000
Exact Mass
116.024320
InChI
InChI=1S/C4H9.ClH.Mg/c1-4(2)3;;/h1-3H3;1H;/q-1;;+2/p-1
InChIKey
CQRPUKWAZPZXTO-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
0.75
H-bond acceptors
2
Molar refractivity
26.02
TPSA
0.0000
LogP / Solubility
WLOGP
-1.76
MLOGP
-1.56
XLogP3
-1.76
Consensus LogP
-1.69
Log S (ESOL)
0.54
Class (ESOL)
Highly soluble
Log S (Ali)
0.75
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.04
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)
-4.68
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
Customers Also Viewed
-
Cyclopentylmagnesium Bromide (ca. 18% in Tetrahydrofuran, ca. 1mol/L)
- CAS RN: 33240-34-5
- Product Code: ICTC1505
-
-
Benzylmagnesium Chloride (ca. 16% in Tetrahydrofuran, ca. 1mol/L)
- CAS RN: 6921-34-2
- Product Code: ICTB1933
-
Cyclohexylmagnesium Bromide (ca. 18% in Tetrahydrofuran, ca. 1mol/L)
- CAS RN: 931-50-0
- Product Code: ICTC1504
-
Butylmagnesium Chloride (23% in Tetrahydrofuran, ca. 2mol/L)
- CAS RN: 693-04-9
- Product Code: ICTB0726
-
sec-Butylmagnesium Bromide (ca. 16% in Tetrahydrofuran, ca. 1mol/L)
- CAS RN: 922-66-7
- Product Code: ICTB1884
