CAS RN: 38046-82-1
4-FLUOROBENZYLMAGNESIUM CHLORIDE 0.25M&
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250707 | 100mL | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS38046-82-1
- Purity/Analytical Methods: >99.0%
38046-82-1 / magnesium;6-methoxy-2H-naphthalen-2-ide;bromide
Basic Information
CAS
38046-82-1
Multi CAS
Yes
Molecular Formula
C11H9BRMGO
Molecular Weight
261.400000
Exact Mass
259.968720
InChI
InChI=1S/C11H9O.BrH.Mg/c1-12-11-7-6-9-4-2-3-5-10(9)8-11;;/h3-8H,1H3;1H;/q-1;;+2/p-1
InChIKey
DMMNAMUAQVNNBC-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
55.09
TPSA
9.23
LogP / Solubility
WLOGP
-0.73
MLOGP
-0.63
XLogP3
-0.73
Consensus LogP
-0.7
Log S (ESOL)
-1.46
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.87
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)
-4.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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