![CAS 923009-54-5 2,8-Diazaspiro[5.5]undecane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923009-54-5.gif)
CAS RN: 923009-54-5
2,8-Diazaspiro[5.5]undecane-2-carboxylic acid, 7-oxo-, 1,1-dimethylethyl ester
- Product code: SSC-205867
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 | Hong Kong | Inquiry |
923009-54-5 / tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
Basic Information
CAS
923009-54-5
Multi CAS
Yes
Molecular Formula
C14H24N2O3
Molecular Weight
268.350000
Exact Mass
268.178693
InChI
InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-5-7-14(10-16)6-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)
InChIKey
BCWUGEIFXRKYMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.72
TPSA
58.64
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
1.2
Consensus LogP
1.6
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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