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CAS 1593969-81-3 N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester molecular structure lightbox
CAS RN: 1593969-81-3

N-[(3S,5S)-5-fluoro-3-piperidinyl]-, 1,1-dimethylethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-067373
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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: >97%
  • 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 1593969-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Shenzhen Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 0 Out of Stock Beijing Inquiry

1593969-81-3 / tert-butyl N-[(3S,5S)-5-fluoropiperidin-3-yl]carbamate

Standard CAS: 1593969-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1593969-81-3
Multi CAS
No
Molecular Formula
C10H19FN2O2
Molecular Weight
218.270000
Exact Mass
218.143056
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC1)F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-7(11)5-12-6-8/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8-/m0/s1
InChIKey
ACHGEWOGBWGEEL-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.54
TPSA
50.36

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.1
Consensus LogP
1.13
Log S (ESOL)
-1.89
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.2
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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