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CAS 1246947-33-0 endo-tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate molecular structure lightbox
CAS RN: 1246947-33-0

endo-tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250916 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-028805
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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: 0.1g, 0.25g, 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 1246947-33-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 0 Out of Stock Beijing Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
1g ≥97% 0 Out of Stock Shenzhen Inquiry

1246947-33-0 / tert-butyl (1R,5S)-8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate

Standard CAS: 1246947-33-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1246947-33-0
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)C2O
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-6-8-4-5-9(7-13)10(8)14/h8-10,14H,4-7H2,1-3H3/t8-,9+,10?
InChIKey
XKTZALADSXGEHI-ULKQDVFKSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.03
TPSA
49.77

LogP / Solubility

WLOGP
1.62
MLOGP
1.43
XLogP3
1.3
Consensus LogP
1.45
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
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)
-2.95

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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