![CAS 521944-15-0 3-BENZYL-3-AZABICYCLO[3.2.1]OCTAN-8-OL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/521944-15-0.gif)
CAS RN: 521944-15-0
3-BENZYL-3-AZABICYCLO[3.2.1]OCTAN-8-OL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260122 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-159280
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
521944-15-0 / (1S,5R)-3-benzyl-3-azabicyclo[3.2.1]octan-8-ol
Basic Information
CAS
521944-15-0
Multi CAS
Yes
Molecular Formula
C14H19NO
Molecular Weight
217.310000
Exact Mass
217.146664
InChI
InChI=1S/C14H19NO/c16-14-12-6-7-13(14)10-15(9-12)8-11-4-2-1-3-5-11/h1-5,12-14,16H,6-10H2/t12-,13+,14?
InChIKey
QBGJTVIWVSLDFA-PBWFPOADSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.94
TPSA
23.47
LogP / Solubility
WLOGP
1.89
MLOGP
1.66
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-2.7
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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