CAS RN: 932-31-0
o-Tolylmagnesium Bromide (ca. 17% in Tetrahydrofuran, ca. 0.9mol/L)
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.20251127 | 100ml / 500ml | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTT1698
932-31-0 / magnesium;methylbenzene;bromide
Basic Information
CAS
932-31-0
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;;/h2-5H,1H3;1H;/q-1;;+2/p-1
InChIKey
YAMQOOCGNXAQGW-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
Customers Also Viewed
-
m-Tolylmagnesium Bromide (19% in Tetrahydrofuran, ca. 1mol/L)
- CAS RN: 28987-79-3
- Product Code: ICTT1699
-
-
-
-
-
