![CAS 51656-70-3 Zinc, bromo[2-(1,1-dimethylethoxy)-2-oxoethyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/51656-70-3.gif)
CAS RN: 51656-70-3
Zinc, bromo[2-(1,1-dimethylethoxy)-2-oxoethyl]-
- Product code: SSC-158600
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 100g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
51656-70-3 / bromozinc(1+);tert-butyl acetate
Basic Information
CAS
51656-70-3
Multi CAS
Yes
Molecular Formula
C6H11BRO2ZN
Molecular Weight
260.400000
Exact Mass
257.923380
InChI
InChI=1S/C6H11O2.BrH.Zn/c1-5(7)8-6(2,3)4;;/h1H2,2-4H3;1H;/q-1;;+2/p-1
InChIKey
OWVBKVUUDMFVCR-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
40.13
TPSA
26.3
LogP / Solubility
WLOGP
2.01
MLOGP
1.77
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.02
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)
-2.88
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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