![CAS 1147422-92-1 tert-Butyl 7-acetyl-2,7-diazaspiro[3.5]nonane-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1147422-92-1.gif)
CAS RN: 1147422-92-1
tert-Butyl 7-acetyl-2,7-diazaspiro[3.5]nonane-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 | Inquiry |
|---|---|---|---|
| Batchno.20250912 | 100mg | Out of stock | Inquiry |
- Product code: SSC-014464
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 |
1147422-92-1 / 2,7-diazaspiro[3.5]nonan-3-one
2,7-Diazaspiro[3.5]nonan-1-one | 2,7-diazaspiro[3.5]nonan-3-one | MFCD13180578
Basic Information
CAS
1147422-92-1
Multi CAS
Yes
Molecular Formula
C7H12N2O
Molecular Weight
140.180000
Exact Mass
140.094963
SMILES
C1CNCCC12CNC2=O
InChI
InChI=1S/C7H12N2O/c10-6-7(5-9-6)1-3-8-4-2-7/h8H,1-5H2,(H,9,10)
InChIKey
ZSJNNIPCNKKLHD-UHFFFAOYSA-N
Synonyms
2,7-Diazaspiro[3.5]nonan-1-one
2,7-diazaspiro[3.5]nonan-3-one
MFCD13180578
SCHEMBL769784
SCHEMBL785588
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.55
TPSA
41.13
LogP / Solubility
WLOGP
-0.51
MLOGP
-0.46
XLogP3
-0.8
Consensus LogP
-0.59
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.34
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.14
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-3.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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