CAS RN: 92274-43-6
3-Methylbutylzinc broMide, 0.5M in THF
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.20260212 | 50ml | Out of stock | 8-10 business days | Inquiry |
- Product code: LINM920250
92274-43-6 / bromozinc(1+);2-methylbutane
Basic Information
CAS
92274-43-6
Multi CAS
Yes
Molecular Formula
C5H11BRZN
Molecular Weight
216.400000
Exact Mass
213.933550
InChI
InChI=1S/C5H11.BrH.Zn/c1-4-5(2)3;;/h5H,1,4H2,2-3H3;1H;/q-1;;+2/p-1
InChIKey
SCTRWKRSHGMHRI-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
33.74
TPSA
0.0000
LogP / Solubility
WLOGP
2.71
MLOGP
2.39
XLogP3
2.71
Consensus LogP
2.6
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
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)
-2.12
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
