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CAS 884512-51-0 TERT-BUTYL 3-(2,2,2-TRIFLUOROACETYL)PIPERIDINE-1-CARBOXYLATE molecular structure lightbox
CAS RN: 884512-51-0

TERT-BUTYL 3-(2,2,2-TRIFLUOROACETYL)PIPERIDINE-1-CARBOXYLATE

  • Product code: SSC-199153
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • 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 884512-51-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

884512-51-0 / tert-butyl 3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate

Standard CAS: 884512-51-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
884512-51-0
Multi CAS
Yes
Molecular Formula
C12F3H18NO3
Molecular Weight
281.270000
Exact Mass
281.123878
InChI
InChI=1S/C12H18F3NO3/c1-11(2,3)19-10(18)16-6-4-5-8(7-16)9(17)12(13,14)15/h8H,4-7H2,1-3H3
InChIKey
WUIDPMIFPWKNKG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
61.59
TPSA
46.61

LogP / Solubility

WLOGP
2.76
MLOGP
2.44
XLogP3
2.4
Consensus LogP
2.53
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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