CAS RN: 1824210-98-1
tert-butyl 3-hydroxy-5-(trifluoromethyl)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.20250322 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1824210-98-1
- Purity/Analytical Methods: >99.0%
1824210-98-1 / tert-butyl 3-hydroxy-5-(trifluoromethyl)piperidine-1-carboxylate
Basic Information
CAS
1824210-98-1
Multi CAS
No
Molecular Formula
C11H18F3NO3
Molecular Weight
269.260000
Exact Mass
269.123878
SMILES
CC(C)(C)OC(=O)N1CC(CC(C1)O)C(F)(F)F
InChI
InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(17)15-5-7(11(12,13)14)4-8(16)6-15/h7-8,16H,4-6H2,1-3H3
InChIKey
AAVVGFKIMWXYCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.98
TPSA
49.77
LogP / Solubility
WLOGP
2.17
MLOGP
1.91
XLogP3
2
Consensus LogP
2.03
Log S (ESOL)
-2.87
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
methyl 2-azabicyclo[2.1.1]hexane-5-carboxylate hydrochloride
- CAS RN: 1824260-58-3
- Product Code: SSC-084268
-
-
-
-
![CAS 1824260-58-3 methyl 2-azabicyclo[2.1.1]hexane-5-carboxylate hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1824260-58-3.gif)
