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CAS 1630815-57-4 tert-Butyl ((3R,4S)-3-fluoropiperidin-4-yl)carbamate molecular structure lightbox
CAS RN: 1630815-57-4

tert-Butyl ((3R,4S)-3-fluoropiperidin-4-yl)carbamate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260107 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-070718
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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: ＞97%
  • 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 1630815-57-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry

1630815-57-4 / tert-butyl N-[(3R,4S)-3-fluoropiperidin-4-yl]carbamate

Standard CAS: 1630815-57-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1630815-57-4
Multi CAS
No
Molecular Formula
C10H19FN2O2
Molecular Weight
218.270000
Exact Mass
218.143056
SMILES
CC(C)(C)OC(=O)N[C@H]1CCNC[C@H]1F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-8-4-5-12-6-7(8)11/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8+/m1/s1
InChIKey
MPIIBGAKGQZLDK-SFYZADRCSA-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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