Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 25g, 5g, 0.1g, 0.25g, 10g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 4 In Stock | Hong Kong | Inquiry |
| 25g | >95% | 4 In Stock | Shanghai | Inquiry |
| 5g | >95% | 3 In Stock | Beijing | Inquiry |
| 0.1g | >95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 2 In Stock | Beijing | Inquiry |
| 10g | >95% | 1 In Stock | Hong Kong | Inquiry |
57332-84-0 / ethyl 3-bromo-2-oxobutanoate
Basic Information
CAS
57332-84-0
Multi CAS
No
Molecular Formula
C6H9BRO3
Molecular Weight
209.040000
Exact Mass
207.973510
InChI
InChI=1S/C6H9BrO3/c1-3-10-6(9)5(8)4(2)7/h4H,3H2,1-2H3
InChIKey
SIOIQIWIQSMQAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
40.03
TPSA
43.37
LogP / Solubility
WLOGP
0.9
MLOGP
0.79
XLogP3
1.6
Consensus LogP
1.1
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.13
Class (SILICOS-IT)
Moderately 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)
-3.35
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
2
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- CAS RN: 57333-96-7
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- Purity/Analytical method: >99.0%
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