![CAS 1823229-54-4 (1R, 5S)-METHYL 9-BOC-3-OXA-9-AZA-BICYCLO[3.3.1]NONANE-7-CARBOXYLATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823229-54-4.gif)
CAS RN: 1823229-54-4
(1R, 5S)-METHYL 9-BOC-3-OXA-9-AZA-BICYCLO[3.3.1]NONANE-7-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.20250115 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-083479
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: 0.25g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Shanghai | Inquiry |
1823229-54-4 / 9-O-tert-butyl 7-O-methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7,9-dicarboxylate
Basic Information
CAS
1823229-54-4
Multi CAS
No
Molecular Formula
C14H23NO5
Molecular Weight
285.340000
Exact Mass
285.157623
SMILES
CC(C)(C)OC(=O)N1C2CC(CC1COC2)C(=O)OC
InChI
InChI=1S/C14H23NO5/c1-14(2,3)20-13(17)15-10-5-9(12(16)18-4)6-11(15)8-19-7-10/h9-11H,5-8H2,1-4H3
InChIKey
UUIAWYLQFAYJMO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
71.21
TPSA
65.07
LogP / Solubility
WLOGP
1.57
MLOGP
1.4
XLogP3
1.2
Consensus LogP
1.39
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.94
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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