CAS RN: 66134-97-2
ethyl 2-(3-bromo-2-oxopyrrolidin-1-yl)acetate
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.20250616 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS66134-97-2
- Purity/Analytical Methods: >99.0%
66134-97-2 / ethyl 2-(3-bromo-2-oxopyrrolidin-1-yl)acetate
Basic Information
CAS
66134-97-2
Multi CAS
No
Molecular Formula
BC8H12O3Rn
Molecular Weight
250.090000
Exact Mass
249.000060
InChI
InChI=1S/C8H12BrNO3/c1-2-13-7(11)5-10-4-3-6(9)8(10)12/h6H,2-5H2,1H3
InChIKey
MPRWQADZAJHZQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.75
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
50.55
TPSA
46.61
LogP / Solubility
WLOGP
0.55
MLOGP
0.49
XLogP3
1
Consensus LogP
0.68
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.1
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)
-3.86
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
2
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