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CAS 1215071-17-2 tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1215071-17-2

tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250425 100g In stock Shanghai Inquiry
Batchno.20250425 1g In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20250630 250mg In stock Shanghai Inquiry
Batchno.20251208 25g In stock Shanghai Inquiry
Batchno.20251115 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS1215071-17-2
  • Purity/Analytical Methods: >99.0%
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1215071-17-2 / tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate

Standard CAS: 1215071-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1215071-17-2
Multi CAS
No
Molecular Formula
C10H15F2NO3
Molecular Weight
235.230000
Exact Mass
235.102000
SMILES
CC(C)(C)OC(=O)N1CCC(=O)C(C1)(F)F
InChI
InChI=1S/C10H15F2NO3/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13/h4-6H2,1-3H3
InChIKey
GDZBFUOJMJSIAZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.38
TPSA
46.61

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.3
Consensus LogP
1.58
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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