![CAS 155560-04-6 N-(3-endo)-9-Azabicyclo[3.3.1]non-3-ylcarbamic acid 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/155560-04-6.gif)
CAS RN: 155560-04-6
N-(3-endo)-9-Azabicyclo[3.3.1]non-3-ylcarbamic acid 1,1-dimethylethyl ester
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.20251017 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-064833
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 |
155560-04-6 / tert-butyl N-[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]carbamate
Basic Information
CAS
155560-04-6
Multi CAS
No
Molecular Formula
C13H24N2O2
Molecular Weight
240.340000
Exact Mass
240.183778
SMILES
CC(C)(C)OC(=O)NC1C[C@H]2CCC[C@@H](C1)N2
InChI
InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)15-11-7-9-5-4-6-10(8-11)14-9/h9-11,14H,4-8H2,1-3H3,(H,15,16)/t9-,10+,11?
InChIKey
HWPHWBRCRWNTLX-ZACCUICWSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.92
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
66.95
TPSA
50.36
LogP / Solubility
WLOGP
2.18
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.16
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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