![CAS 1416176-14-1 3-Boc-3-azaspiro[5.5]undecane-9-carbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1416176-14-1.gif)
CAS RN: 1416176-14-1
3-Boc-3-azaspiro[5.5]undecane-9-carbaldehyde
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.20250508 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-051995
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 | Beijing | 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 | Hong Kong | Inquiry |
1416176-14-1 / tert-butyl 9-formyl-3-azaspiro[5.5]undecane-3-carboxylate
Basic Information
CAS
1416176-14-1
Multi CAS
No
Molecular Formula
C16H27NO3
Molecular Weight
281.390000
Exact Mass
281.199094
SMILES
CC(C)(C)OC(=O)N1CCC2(CCC(CC2)C=O)CC1
InChI
InChI=1S/C16H27NO3/c1-15(2,3)20-14(19)17-10-8-16(9-11-17)6-4-13(12-18)5-7-16/h12-13H,4-11H2,1-3H3
InChIKey
AXUPGUGFMSYTMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.88
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.5
TPSA
46.61
LogP / Solubility
WLOGP
3.39
MLOGP
3
XLogP3
2.8
Consensus LogP
3.06
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly 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)
-2.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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