![CAS 56062-59-0 3-Azabicyclo[3.1.0]hexane-1-carbonitrile, 3-(phenylmethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/56062-59-0.gif)
CAS RN: 56062-59-0
3-Azabicyclo[3.1.0]hexane-1-carbonitrile, 3-(phenylmethyl)-
- Product code: SSC-164027
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: 0.1g, 0.25g, 1g, 5g, 10g
- Available purity: >97%
- Inventory rows with stock: 5
- 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 |
|---|---|---|---|---|
| 0.1g | >97% | 3 In Stock | Shanghai | Inquiry |
| 0.25g | >97% | 3 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 3 In Stock | Hong Kong | Inquiry |
| 5g | >97% | 3 In Stock | Beijing | Inquiry |
| 10g | >97% | 3 In Stock | Shanghai | Inquiry |
56062-59-0 / 3-benzyl-3-azabicyclo[3.1.0]hexane-1-carbonitrile
Basic Information
CAS
56062-59-0
Multi CAS
No
Molecular Formula
C13H14N2
Molecular Weight
198.260000
Exact Mass
198.115698
InChI
InChI=1S/C13H14N2/c14-9-13-6-12(13)8-15(10-13)7-11-4-2-1-3-5-11/h1-5,12H,6-8,10H2
InChIKey
BOHSMHNKEIRAEH-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
57.87
TPSA
27.03
LogP / Solubility
WLOGP
2.03
MLOGP
1.79
XLogP3
1.5
Consensus LogP
1.77
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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