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CAS 2227693-01-6 1-Piperidinecarboxylic acid, 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 2227693-01-6

1-Piperidinecarboxylic acid, 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260615 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-107584
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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: ≥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 2227693-01-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

2227693-01-6 / tert-butyl 4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxylate

Standard CAS: 2227693-01-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2227693-01-6
Multi CAS
No
Molecular Formula
C12H20F3NO3
Molecular Weight
283.290000
Exact Mass
283.139528
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)[C@@H](C(F)(F)F)O
InChI
InChI=1S/C12H20F3NO3/c1-11(2,3)19-10(18)16-6-4-8(5-7-16)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3/t9-/m0/s1
InChIKey
HARLHGMSRKJSSA-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.59
TPSA
49.77

LogP / Solubility

WLOGP
2.56
MLOGP
2.26
XLogP3
2.4
Consensus LogP
2.41
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.63

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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