CAS RN: 32703-80-3
4-tert-Butylphthalonitrile
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251120 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250312 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250601 | 25g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250403 | 5g | In stock | Shanghai, Shenzhen, Wuhan, Chengdu | Inquiry |
- Product code: SSC-138357
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: 0.25g, 1g, 5g, 10g, 25g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 0.25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 1g | ≥98% | 1 In Stock | Beijing | Inquiry |
| 5g | ≥98% | 1 In Stock | Shanghai | Inquiry |
| 10g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
| 25g | ≥98% | 1 In Stock | Shenzhen | Inquiry |
32703-80-3 / 4-tert-butylbenzene-1,2-dicarbonitrile
Basic Information
CAS
32703-80-3
Multi CAS
Yes
Molecular Formula
C12H12N2
Molecular Weight
184.240000
Exact Mass
184.100048
InChI
InChI=1S/C12H12N2/c1-12(2,3)11-5-4-9(7-13)10(6-11)8-14/h4-6H,1-3H3
InChIKey
LOTMIRVNJTVTSU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
54.57
TPSA
47.58
LogP / Solubility
WLOGP
2.73
MLOGP
2.4
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.12
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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