CAS RN: 703-55-9
1-NAPHTHYLMAGNESIUM BROMIDE
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS703-55-9
- Purity/Analytical Methods: >99.0%
703-55-9 / magnesium;1H-naphthalen-1-ide;bromide
Basic Information
CAS
703-55-9
Multi CAS
Yes
Molecular Formula
C10H7BRMG
Molecular Weight
231.370000
Exact Mass
229.958150
InChI
InChI=1S/C10H7.BrH.Mg/c1-2-6-10-8-4-3-7-9(10)5-1;;/h1-7H;1H;/q-1;;+2/p-1
InChIKey
VCBWOINKHDKRAF-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
48.54
TPSA
0.0000
LogP / Solubility
WLOGP
-0.74
MLOGP
-0.64
XLogP3
-0.74
Consensus LogP
-0.71
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
