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CAS 1334413-33-0 tert-butyl 4-fluoro-3-oxopiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1334413-33-0

tert-butyl 4-fluoro-3-oxopiperidine-1-carboxylate

  • Product code: SSC-040187
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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: 0.1g, 0.25g, 1g
  • 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 1334413-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1334413-33-0 / tert-butyl 4-fluoro-3-oxopiperidine-1-carboxylate

Standard CAS: 1334413-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1334413-33-0
Multi CAS
No
Molecular Formula
C10H16FNO3
Molecular Weight
217.240000
Exact Mass
217.111422
SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)C1)F
InChI
InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-7(11)8(13)6-12/h7H,4-6H2,1-3H3
InChIKey
ZRQXQCQSKSYTBU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.33
TPSA
46.61

LogP / Solubility

WLOGP
1.53
MLOGP
1.35
XLogP3
1.5
Consensus LogP
1.46
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
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)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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