![CAS 1341039-65-3 3-Boc-8-hydroxyethyl-3-azabicyclo[3.2.1]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341039-65-3.gif)
CAS RN: 1341039-65-3
3-Boc-8-hydroxyethyl-3-azabicyclo[3.2.1]octane
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.20250407 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-041403
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
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1341039-65-3 / tert-butyl 8-(2-hydroxyethyl)-3-azabicyclo[3.2.1]octane-3-carboxylate
Basic Information
CAS
1341039-65-3
Multi CAS
No
Molecular Formula
C14H25NO3
Molecular Weight
255.350000
Exact Mass
255.183444
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)C2CCO
InChI
InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-8-10-4-5-11(9-15)12(10)6-7-16/h10-12,16H,4-9H2,1-3H3
InChIKey
VOLANJWYOQXQNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.21
TPSA
49.77
LogP / Solubility
WLOGP
2.26
MLOGP
2
XLogP3
1.8
Consensus LogP
2.02
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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