CAS RN: 847591-35-9
tert-butyl 4-(trifluoromethyl)-4-((trimethylsilyl)oxy)piperidine-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.20250307 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS847591-35-9
- Purity/Analytical Methods: >99.0%
847591-35-9 / tert-butyl 4-(trifluoromethyl)-4-trimethylsilyloxypiperidine-1-carboxylate
Basic Information
CAS
847591-35-9
Multi CAS
Yes
Molecular Formula
C14F3H26NO3Si
Molecular Weight
341.440000
Exact Mass
341.163405
InChI
InChI=1S/C14H26F3NO3Si/c1-12(2,3)20-11(19)18-9-7-13(8-10-18,14(15,16)17)21-22(4,5)6/h7-10H2,1-6H3
InChIKey
DBXGNZLSCFHGOF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
80.26
TPSA
38.77
LogP / Solubility
WLOGP
4.17
MLOGP
3.69
XLogP3
4.17
Consensus LogP
4.01
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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