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CAS 1283720-71-7 tert-butyl 4-hydroxy-3-(trifluoroMethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1283720-71-7

tert-butyl 4-hydroxy-3-(trifluoroMethyl)piperidine-1-carboxylate

  • Product code: SSC-035675
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1283720-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

1283720-71-7 / tert-butyl 4-hydroxy-3-(trifluoromethyl)piperidine-1-carboxylate

Standard CAS: 1283720-71-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1283720-71-7
Multi CAS
No
Molecular Formula
C11H18F3NO3
Molecular Weight
269.260000
Exact Mass
269.123878
SMILES
CC(C)(C)OC(=O)N1CCC(C(C1)C(F)(F)F)O
InChI
InChI=1S/C11H18F3NO3/c1-10(2,3)18-9(17)15-5-4-8(16)7(6-15)11(12,13)14/h7-8,16H,4-6H2,1-3H3
InChIKey
IRFMYKZUSRNURE-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

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