![CAS 1823862-55-0 9-Tert-Butyl 3-Methyl 2-Oxo-9-Azabicyclo[3.3.1]Nonane-3,9-Dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823862-55-0.gif)
CAS RN: 1823862-55-0
9-Tert-Butyl 3-Methyl 2-Oxo-9-Azabicyclo[3.3.1]Nonane-3,9-Dicarboxylate
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.20250511 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-083907
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 | Beijing | Inquiry |
1823862-55-0 / 9-O-tert-butyl 3-O-methyl 2-oxo-9-azabicyclo[3.3.1]nonane-3,9-dicarboxylate
Basic Information
CAS
1823862-55-0
Multi CAS
No
Molecular Formula
C15H23NO5
Molecular Weight
297.350000
Exact Mass
297.157623
SMILES
CC(C)(C)OC(=O)N1C2CCCC1C(=O)C(C2)C(=O)OC
InChI
InChI=1S/C15H23NO5/c1-15(2,3)21-14(19)16-9-6-5-7-11(16)12(17)10(8-9)13(18)20-4/h9-11H,5-8H2,1-4H3
InChIKey
GIUACIBLSZTGJB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
74.63
TPSA
72.91
LogP / Solubility
WLOGP
1.91
MLOGP
1.69
XLogP3
2.1
Consensus LogP
1.9
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly 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)
-3.18
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
6
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