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CAS 1290191-71-7 (3S,4S)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1290191-71-7

(3S,4S)-tert-Butyl 3-amino-4-fluoropiperidine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251227 50mg / 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-036218
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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: 1g
  • 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 1290191-71-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1290191-71-7 / tert-butyl (3S,4S)-3-amino-4-fluoropiperidine-1-carboxylate

Standard CAS: 1290191-71-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1290191-71-7
Multi CAS
No
Molecular Formula
C10H19FN2O2
Molecular Weight
218.270000
Exact Mass
218.143056
SMILES
CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C1)N)F
InChI
InChI=1S/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-7(11)8(12)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8-/m0/s1
InChIKey
CVHJEFDRBTZVEL-YUMQZZPRSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.3
TPSA
55.56

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
0.8
Consensus LogP
1.08
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.15
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)
-3.13

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501

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