CAS RN: 942190-60-5
tert-Butyl 3-cyano-3-((trimethylsilyl)oxy)pyrrolidine-1-carboxylate
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.20250602 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS942190-60-5
- Purity/Analytical Methods: >99.0%
942190-60-5 / tert-butyl 3-cyano-3-trimethylsilyloxypyrrolidine-1-carboxylate
Basic Information
CAS
942190-60-5
Multi CAS
No
Molecular Formula
C13H24N2O3Si
Molecular Weight
284.430000
Exact Mass
284.155619
InChI
InChI=1S/C13H24N2O3Si/c1-12(2,3)17-11(16)15-8-7-13(9-14,10-15)18-19(4,5)6/h7-8,10H2,1-6H3
InChIKey
PVWFGQURJWJHJF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
75.2
TPSA
62.56
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.74
Consensus LogP
2.63
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
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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