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CAS 1228948-05-7 tert-Butyl 1-(oxetan-3-yl)piperidin-4-ylcarbamate molecular structure lightbox
CAS RN: 1228948-05-7

tert-Butyl 1-(oxetan-3-yl)piperidin-4-ylcarbamate

  • Product code: SSC-026578
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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 1228948-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1228948-05-7 / tert-butyl N-[1-(oxetan-3-yl)piperidin-4-yl]carbamate

Standard CAS: 1228948-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228948-05-7
Multi CAS
No
Molecular Formula
C13H24N2O3
Molecular Weight
256.340000
Exact Mass
256.178693
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)C2COC2
InChI
InChI=1S/C13H24N2O3/c1-13(2,3)18-12(16)14-10-4-6-15(7-5-10)11-8-17-9-11/h10-11H,4-9H2,1-3H3,(H,14,16)
InChIKey
RLKQLLBSIXYAQD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.57
TPSA
50.8

LogP / Solubility

WLOGP
1.37
MLOGP
1.22
XLogP3
1.2
Consensus LogP
1.26
Log S (ESOL)
-2.16
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.31

Drug-likeness / Medicinal Chemistry

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

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