CAS RN: 931-50-0
Cyclohexylmagnesium Bromide (ca. 18% in Tetrahydrofuran, ca. 1mol/L)
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: ICTC1504
931-50-0 / magnesium;cyclohexane;bromide
Basic Information
CAS
931-50-0
Multi CAS
Yes
Molecular Formula
C6H11BRMG
Molecular Weight
187.360000
Exact Mass
185.989450
InChI
InChI=1S/C6H11.BrH.Mg/c1-2-4-6-5-3-1;;/h1H,2-6H2;1H;/q-1;;+2/p-1
InChIKey
GFTXWCQFWLOXAT-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
0.83
H-bond acceptors
2
Molar refractivity
33.14
TPSA
0.0000
LogP / Solubility
WLOGP
-1.22
MLOGP
-1.08
XLogP3
-1.22
Consensus LogP
-1.17
Log S (ESOL)
-0.23
Class (ESOL)
Very soluble
Log S (Ali)
-0.21
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.14
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)
-4.73
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
-
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
-
Ethylmagnesium Bromide (13% in Tetrahydrofuran, ca. 1mol/L)
- CAS RN: 925-90-6
- Product Code: ICTE0497
-
Ethylmagnesium Chloride (ca. 18% in Tetrahydrofuran, ca. 2mol/L)
- CAS RN: 2386-64-3
- Product Code: ICTE0135
-
Benzylmagnesium Bromide (ca. 18% in Tetrahydrofuran, ca. 0.9mol/L)
- CAS RN: 1589-82-8
- Product Code: ICTB3976
-
