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CAS 1283718-04-6 tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate molecular structure lightbox
CAS RN: 1283718-04-6

tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260128 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-035664
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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, 5g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • 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 1283718-04-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Shenzhen Inquiry
1g >98% 1 In Stock Shenzhen Inquiry
5g >98% 1 In Stock Shanghai Inquiry

1283718-04-6 / tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxylate

Standard CAS: 1283718-04-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1283718-04-6
Multi CAS
No
Molecular Formula
C12H20F3NO3
Molecular Weight
283.290000
Exact Mass
283.139528
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(C(F)(F)F)O
InChI
InChI=1S/C12H20F3NO3/c1-11(2,3)19-10(18)16-6-4-5-8(7-16)9(17)12(13,14)15/h8-9,17H,4-7H2,1-3H3
InChIKey
UOFLGLUGVISRSF-UHFFFAOYSA-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
2.5

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