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CAS 141699-59-4 1-(tert-Butoxycarbonyl)-4-(methanesulfonyloxy)piperidine molecular structure lightbox
CAS RN: 141699-59-4

1-(tert-Butoxycarbonyl)-4-(methanesulfonyloxy)piperidine

  • Product code: SSC-052285
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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: 5g, 10g, 25g, 100g
  • 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 141699-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Shenzhen Inquiry

141699-59-4 / tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate

Standard CAS: 141699-59-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141699-59-4
Multi CAS
No
Molecular Formula
C11H21NO5S
Molecular Weight
279.360000
Exact Mass
279.114044
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)OS(=O)(=O)C
InChI
InChI=1S/C11H21NO5S/c1-11(2,3)16-10(13)12-7-5-9(6-8-12)17-18(4,14)15/h9H,5-8H2,1-4H3
InChIKey
WOEQSXAIPTXOPY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.91
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
66.76
TPSA
72.91

LogP / Solubility

WLOGP
1.36
MLOGP
1.21
XLogP3
1.1
Consensus LogP
1.22
Log S (ESOL)
-2.3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (95.1%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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