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CAS 1266339-10-9 tert-butyl (3R)-3-fluoro-4-oxopiperidine-1-carboxylate molecular structure lightbox
CAS RN: 1266339-10-9

tert-butyl (3R)-3-fluoro-4-oxopiperidine-1-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250523 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260607 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250822 250mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20250518 5g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS1266339-10-9
  • Purity/Analytical Methods: >99.0%
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1266339-10-9 / tert-butyl (3R)-3-fluoro-4-oxopiperidine-1-carboxylate

Standard CAS: 1266339-10-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1266339-10-9
Multi CAS
No
Molecular Formula
C10H16FNO3
Molecular Weight
217.240000
Exact Mass
217.111422
SMILES
CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C1)F
InChI
InChI=1S/C10H16FNO3/c1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12/h7H,4-6H2,1-3H3/t7-/m1/s1
InChIKey
JZNWQLLPLOQGOI-SSDOTTSWSA-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
Consensus LogP
1.29
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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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