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CAS 911298-12-9 N-1-CBZ-2-TRIFLUOROMETHYL PIPERIDIN-4-ONE molecular structure lightbox
CAS RN: 911298-12-9

N-1-CBZ-2-TRIFLUOROMETHYL PIPERIDIN-4-ONE

  • Product code: SSC-203970
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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: >95%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 911298-12-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

911298-12-9 / benzyl 4-oxo-2-(trifluoromethyl)piperidine-1-carboxylate

Standard CAS: 911298-12-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
911298-12-9
Multi CAS
Yes
Molecular Formula
C14F3H14NO3
Molecular Weight
301.260000
Exact Mass
301.092578
InChI
InChI=1S/C14H14F3NO3/c15-14(16,17)12-8-11(19)6-7-18(12)13(20)21-9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
QIDSGGVIXVGOFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
67.42
TPSA
46.61

LogP / Solubility

WLOGP
2.92
MLOGP
2.58
XLogP3
2.3
Consensus LogP
2.6
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3

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