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CAS 512822-34-3 tert-butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate molecular structure lightbox
CAS RN: 512822-34-3

tert-butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
Batchno.20251230 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250312 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260629 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-158120
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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: 0.25g, 1g, 5g
  • Available purity: ≥95%
  • 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 512822-34-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

512822-34-3 / tert-butyl 9-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate

Standard CAS: 512822-34-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
512822-34-3
Multi CAS
No
Molecular Formula
C13H21NO3
Molecular Weight
239.310000
Exact Mass
239.152144
InChI
InChI=1S/C13H21NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-10(8-14)11(9)15/h9-10H,4-8H2,1-3H3
InChIKey
DMVQSZMTYAHSEC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.85
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
63.65
TPSA
46.61

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
1.7
Consensus LogP
1.96
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly 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)
-2.6

Drug-likeness / Medicinal Chemistry

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

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