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CAS 1363378-12-4 trans-3-(Boc-aMino)-5-(trifluorMethyl)piperidine molecular structure lightbox
CAS RN: 1363378-12-4

trans-3-(Boc-aMino)-5-(trifluorMethyl)piperidine

  • Product code: SSC-045269
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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
  • 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 1363378-12-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Hong Kong Inquiry

1363378-12-4 / tert-butyl N-[(3R,5R)-5-(trifluoromethyl)piperidin-3-yl]carbamate

Standard CAS: 1363378-12-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1363378-12-4
Multi CAS
No
Molecular Formula
C11H19F3N2O2
Molecular Weight
268.280000
Exact Mass
268.139862
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC1)C(F)(F)F
InChI
InChI=1S/C11H19F3N2O2/c1-10(2,3)18-9(17)16-8-4-7(5-15-6-8)11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)/t7-,8-/m1/s1
InChIKey
CUNVTZVWJLBPQS-HTQZYQBOSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.19
TPSA
50.36

LogP / Solubility

WLOGP
2.05
MLOGP
1.81
XLogP3
2.1
Consensus LogP
1.99
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.9

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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