![CAS 898157-46-5 1-Oxa-8-azaspiro[4,5]decane-8-carboxylic acid,3-bromo-,1,1-dimethylethylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/898157-46-5.gif)
CAS RN: 898157-46-5
1-Oxa-8-azaspiro[4,5]decane-8-carboxylic acid,3-bromo-,1,1-dimethylethylester
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.20250212 | 100mg / 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-201896
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, 5g, 10g
- Available purity: >95%
- Inventory rows with stock: 4
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Beijing | Inquiry |
| 1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 1 In Stock | Shanghai | Inquiry |
| 10g | >95% | 0 Out of Stock | Shanghai | Inquiry |
898157-46-5 / tert-butyl 3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
898157-46-5
Multi CAS
No
Molecular Formula
BC13H22O3Rn
Molecular Weight
320.220000
Exact Mass
319.078310
InChI
InChI=1S/C13H22BrNO3/c1-12(2,3)18-11(16)15-6-4-13(5-7-15)8-10(14)9-17-13/h10H,4-9H2,1-3H3
InChIKey
OWIBUDVDBOTXOB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
73.06
TPSA
38.77
LogP / Solubility
WLOGP
2.94
MLOGP
2.6
XLogP3
2.3
Consensus LogP
2.61
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.31
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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