CAS RN: 33240-34-5
Cyclopentylmagnesium Bromide (ca. 18% in Tetrahydrofuran, ca. 1mol/L)
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: ICTC1505
33240-34-5 / magnesium;cyclopentane;bromide
Basic Information
CAS
33240-34-5
Multi CAS
Yes
Molecular Formula
C5H9BRMG
Molecular Weight
173.330000
Exact Mass
171.973800
InChI
InChI=1S/C5H9.BrH.Mg/c1-2-4-5-3-1;;/h1H,2-5H2;1H;/q-1;;+2/p-1
InChIKey
JMPXNLAYOWCGCW-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
H-bond acceptors
2
Molar refractivity
28.52
TPSA
0.0000
LogP / Solubility
WLOGP
-1.61
MLOGP
-1.42
XLogP3
-1.61
Consensus LogP
-1.55
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
0.18
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.55
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)
-4.92
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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