![CAS 1240529-14-9 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12573039.gif)
CAS RN: 1240529-14-9
3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250804 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-027791
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 0.1g, 10g, 0.25g, 1g
- Available purity: ≥97%
- Inventory rows with stock: 10
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | -- | 3 In Stock | Hong Kong | Inquiry |
| 5g | ≥97% | 3 In Stock | Shanghai | Inquiry |
| 0.1g | -- | 2 In Stock | Shanghai | Inquiry |
| 0.1g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 10g | -- | 2 In Stock | Beijing | Inquiry |
| 10g | ≥97% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.25g | ≥97% | 1 In Stock | Beijing | Inquiry |
| 1g | -- | 1 In Stock | Hong Kong | Inquiry |
| 1g | ≥97% | 1 In Stock | Beijing | Inquiry |
1240529-14-9 / 3-benzyl-3-azabicyclo[3.1.1]heptan-6-one
Basic Information
CAS
1240529-14-9
Multi CAS
No
Molecular Formula
C13H15NO
Molecular Weight
201.260000
Exact Mass
201.115364
SMILES
C1C2CN(CC1C2=O)CC3=CC=CC=C3
InChI
InChI=1S/C13H15NO/c15-13-11-6-12(13)9-14(8-11)7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey
DXLWDHDUFRJNJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
58.32
TPSA
20.31
LogP / Solubility
WLOGP
1.71
MLOGP
1.5
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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