![CAS 1349875-71-3 tert-butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1349875-71-3.gif)
CAS RN: 1349875-71-3
tert-butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
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.20250723 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-042834
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 | Shenzhen | Inquiry |
1349875-71-3 / tert-butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
Basic Information
CAS
1349875-71-3
Multi CAS
No
Molecular Formula
C12H20N2O3
Molecular Weight
240.300000
Exact Mass
240.147393
SMILES
CC(=O)N1CC2(C1)CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H20N2O3/c1-9(15)13-5-12(6-13)7-14(8-12)10(16)17-11(2,3)4/h5-8H2,1-4H3
InChIKey
KUJJAAMONZQMMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
62.49
TPSA
49.85
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
0.3
Consensus LogP
0.78
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
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)
-3.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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