CAS RN: 4294-57-9
p-Tolylmagnesium Bromide (19% in Tetrahydrofuran, ca. 1mol/L)
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251001 | 100ml / 500ml / 1L | Confirm by inquiry | Shanghai, Shandong, Guangdong, Chongqing | 5-7 business days | Inquiry |
- Product code: ICTT1700
4294-57-9 / magnesium;methylbenzene;bromide
Basic Information
CAS
4294-57-9
Multi CAS
Yes
Molecular Formula
C7H7BRMG
Molecular Weight
195.340000
Exact Mass
193.958150
InChI
InChI=1S/C7H7.BrH.Mg/c1-7-5-3-2-4-6-7;;/h3-6H,1H3;1H;/q-1;;+2/p-1
InChIKey
BVUQKCCKUOSAEV-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.14
H-bond acceptors
2
Molar refractivity
35.77
TPSA
0.0000
LogP / Solubility
WLOGP
-1.58
MLOGP
-1.39
XLogP3
-1.58
Consensus LogP
-1.52
Log S (ESOL)
-0.55
Class (ESOL)
Very soluble
Log S (Ali)
-0.02
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.38
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)
-5.03
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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