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CAS 152533-47-6 (1R,4S)-tert-butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate molecular structure lightbox
CAS RN: 152533-47-6

(1R,4S)-tert-butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260202 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260501 1g In stock Shenzhen Inquiry
Batchno.20250713 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250417 25mg In stock Shanghai Inquiry
Batchno.20251016 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251215 50mg / 250mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batchno.20250419 5g Out of stock Inquiry
  • Product code: SSC-062322
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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 152533-47-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

152533-47-6 / tert-butyl 2-oxo-7-azabicyclo[2.2.1]heptane-7-carboxylate

Standard CAS: 152533-47-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
152533-47-6
Multi CAS
No
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(=O)C2
InChI
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-8H,4-6H2,1-3H3
InChIKey
XWIJVOQGKJHEAJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.51
TPSA
46.61

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.3
Consensus LogP
1.52
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.54
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.47
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)
-2.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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