CAS RN: 23719-80-4
Cyclopropylmagnesium Bromide (ca. 10% in Tetrahydrofuran, ca. 0.7mol/L)
Product Availability
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7 package records5 with current stock2 grade groups
- Product code: ICTC2039
23719-80-4 / magnesium;cyclopropane;bromide
Basic Information
CAS
23719-80-4
Multi CAS
No
Molecular Formula
C3H5BrMg
Molecular Weight
145.280000
Exact Mass
143.942500
SMILES
C1C[CH-]1.[Mg+2].[Br-]
InChI
InChI=1S/C3H5.BrH.Mg/c1-2-3-1;;/h1H,2-3H2;1H;/q-1;;+2/p-1
InChIKey
VFZXMEQGIIWBFJ-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.67
H-bond acceptors
2
Molar refractivity
19.29
TPSA
0.0000
LogP / Solubility
WLOGP
-2.39
MLOGP
-2.11
XLogP3
-2.39
Consensus LogP
-2.3
Log S (ESOL)
0.77
Class (ESOL)
Highly soluble
Log S (Ali)
0.98
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.38
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)
-5.3
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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