![CAS 1140321-06-7 8-tert-butyl 2-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1140321-06-7.gif)
CAS RN: 1140321-06-7
8-tert-butyl 2-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-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.20260325 | 100mg / 250mg / 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-013933
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: 0.1g, 0.25g, 1g, 5g
- 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.
1140321-06-7 / 8-O-tert-butyl 2-O-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
8-tert-butyl 2-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate | O8-tert-Butyl O2-methyl 3-oxo-8-aZabicyclo[3.2.1]octane-2,8-dicarboxylate | MFCD24543350
Basic Information
CAS
1140321-06-7
Multi CAS
No
Molecular Formula
C14H21NO5
Molecular Weight
283.320000
Exact Mass
283.141973
SMILES
CC(C)(C)OC(=O)N1C2CCC1C(C(=O)C2)C(=O)OC
InChI
InChI=1S/C14H21NO5/c1-14(2,3)20-13(18)15-8-5-6-9(15)11(10(16)7-8)12(17)19-4/h8-9,11H,5-7H2,1-4H3
InChIKey
KLRZSGVNONCIIT-UHFFFAOYSA-N
Synonyms
8-tert-butyl 2-methyl 3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
O8-tert-Butyl O2-methyl 3-oxo-8-aZabicyclo[3.2.1]octane-2,8-dicarboxylate
MFCD24543350
8-tert-butyl2-methyl3-oxo-8-azabicyclo[3.2.1]octane-2,8-dicarboxylate
Methyl 8-Boc-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
70.01
TPSA
72.91
LogP / Solubility
WLOGP
1.52
MLOGP
1.34
XLogP3
1.3
Consensus LogP
1.39
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.98
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-3.37
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
5
Customers Also Viewed
-
2,6H-trifluoroacetanilide
- CAS RN: 1140391-90-7
- Product Code: starshine_CAS1140391-90-7
- Purity/Analytical method: >99.0%
-
-
TERT-BUTYL 2-OXOAZETIDINE-1-CARBOXYLATE
- CAS RN: 1140510-99-1
- Product Code: starshine_CAS1140510-99-1
- Purity/Analytical method: >99.0%
-
Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
- CAS RN: 1140512-58-8
- Product Code: SSC-013944
-
methyl 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate
- CAS RN: 1140512-59-9
- Product Code: SSC-013945
-
![CAS 1140512-58-8 Methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1140512-58-8.gif)
![CAS 1140512-59-9 methyl 6-chloro-1H-pyrrolo[3,2-c]pyridine-2-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1140512-59-9.gif)
