CAS RN: 36476-86-5
1-Benzhydrylazetane-3-carbonitrile
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 100g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20260323 | 1kg | In stock | Shanghai | Inquiry |
| Batchno.20260319 | 25g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260219 | 500g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250723 | 5g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry |
- Product code: SSC-143658
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: 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 2
- 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 |
|---|---|---|---|---|
| 1g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 2 In Stock | Shanghai | Inquiry |
| 10g | >97% | 0 Out of Stock | Shenzhen | Inquiry |
| 25g | >97% | 0 Out of Stock | Beijing | Inquiry |
| 100g | >97% | 0 Out of Stock | Shanghai | Inquiry |
36476-86-5 / 1-benzhydrylazetidine-3-carbonitrile
Basic Information
CAS
36476-86-5
Multi CAS
Yes
Molecular Formula
C17H16N2
Molecular Weight
248.320000
Exact Mass
248.131349
InChI
InChI=1S/C17H16N2/c18-11-14-12-19(13-14)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,17H,12-13H2
InChIKey
IXMOEAHDRKNAAG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
75.4
TPSA
27.03
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
3
Consensus LogP
3.03
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.32
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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