![CAS 1341039-44-8 6-N-Boc-1-hydroxy-6-aza-spiro[3.4]octane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1341039-44-8.gif)
CAS RN: 1341039-44-8
6-N-Boc-1-hydroxy-6-aza-spiro[3.4]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.20260417 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-041402
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1341039-44-8 / tert-butyl 3-hydroxy-6-azaspiro[3.4]octane-6-carboxylate
Basic Information
CAS
1341039-44-8
Multi CAS
No
Molecular Formula
C12H21NO3
Molecular Weight
227.300000
Exact Mass
227.152144
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC2O
InChI
InChI=1S/C12H21NO3/c1-11(2,3)16-10(15)13-7-6-12(8-13)5-4-9(12)14/h9,14H,4-8H2,1-3H3
InChIKey
XVJZTDDYLWCINU-UHFFFAOYSA-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
60.1
TPSA
49.77
LogP / Solubility
WLOGP
1.77
MLOGP
1.56
XLogP3
1.2
Consensus LogP
1.51
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.61
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)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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