![CAS 1818847-31-2 exo-3-methylamino-9-boc-9-azabicyclo[3.3.1]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1818847-31-2.gif)
CAS RN: 1818847-31-2
exo-3-methylamino-9-boc-9-azabicyclo[3.3.1]nonane
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.20250130 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-082682
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 |
1818847-31-2 / tert-butyl (1R,5S)-3-(methylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate
Basic Information
CAS
1818847-31-2
Multi CAS
No
Molecular Formula
C14H26N2O2
Molecular Weight
254.370000
Exact Mass
254.199428
SMILES
CC(C)(C)OC(=O)N1[C@@H]2CCC[C@H]1CC(C2)NC
InChI
InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-11-6-5-7-12(16)9-10(8-11)15-4/h10-12,15H,5-9H2,1-4H3/t10?,11-,12+
InChIKey
CDNDQGCEQFEPRJ-YOGCLGLASA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.93
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.58
TPSA
41.57
LogP / Solubility
WLOGP
2.53
MLOGP
2.23
XLogP3
2.2
Consensus LogP
2.32
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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