CAS RN: 57224-29-0
Ethyl 5-Bromo-2-oxopentanoate
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.20250524 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS57224-29-0
- Purity/Analytical Methods: >99.0%
57224-29-0 / ethyl 5-bromo-2-oxopentanoate
Basic Information
CAS
57224-29-0
Multi CAS
Yes
Molecular Formula
C7H11BRO3
Molecular Weight
223.060000
Exact Mass
221.989160
InChI
InChI=1S/C7H11BrO3/c1-2-11-7(10)6(9)4-3-5-8/h2-5H2,1H3
InChIKey
HQWSVSBJKIJDTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.71
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
44.67
TPSA
43.37
LogP / Solubility
WLOGP
1.29
MLOGP
1.14
XLogP3
1.4
Consensus LogP
1.28
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-2.32
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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)
-3.16
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
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