CAS RN: 287952-08-3
N-BOC-4-(4-TRIFLUOROMETHYLPHENOXY)PIPERIDINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260509 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-130509
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
287952-08-3 / tert-butyl 4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
Basic Information
CAS
287952-08-3
Multi CAS
No
Molecular Formula
C17F3H22NO3
Molecular Weight
345.360000
Exact Mass
345.155178
InChI
InChI=1S/C17H22F3NO3/c1-16(2,3)24-15(22)21-10-8-14(9-11-21)23-13-6-4-12(5-7-13)17(18,19)20/h4-7,14H,8-11H2,1-3H3
InChIKey
SBDIGZAKUAGTCO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
82.9
TPSA
38.77
LogP / Solubility
WLOGP
4.48
MLOGP
3.96
XLogP3
4.2
Consensus LogP
4.21
Log S (ESOL)
-4.86
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
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)
-1.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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