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CAS 389890-40-8 Tert-Butyl 9-Hydroxy-3-Azabicyclo[3.3.1]Nonane-3-Carboxylate molecular structure lightbox
CAS RN: 389890-40-8

Tert-Butyl 9-Hydroxy-3-Azabicyclo[3.3.1]Nonane-3-Carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260116 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-146602
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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: ≥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 389890-40-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

389890-40-8 / tert-butyl 9-hydroxy-3-azabicyclo[3.3.1]nonane-3-carboxylate

Standard CAS: 389890-40-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
389890-40-8
Multi CAS
No
Molecular Formula
C13H23NO3
Molecular Weight
241.330000
Exact Mass
241.167794
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-7-9-5-4-6-10(8-14)11(9)15/h9-11,15H,4-8H2,1-3H3
InChIKey
AEHTXFBIDXJCIR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.64
TPSA
49.77

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.76

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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