![CAS 2092717-01-4 tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2092717-01-4.png)
CAS RN: 2092717-01-4
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
- Product code: SSC-099055
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 | Shanghai | Inquiry |
2092717-01-4 / tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-2-carboxylate
Basic Information
CAS
2092717-01-4
Multi CAS
No
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
SMILES
CC1CNCCC12CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H24N2O2/c1-10-7-14-6-5-13(10)8-15(9-13)11(16)17-12(2,3)4/h10,14H,5-9H2,1-4H3
InChIKey
JOLHQICFIFKJQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
66.89
TPSA
41.57
LogP / Solubility
WLOGP
1.85
MLOGP
1.64
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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