CAS RN: 3288-99-1
4-tert-Butylphenylacetonitrile
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: SSC-138634
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, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 1
- 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.
3288-99-1 / 2-(4-tert-butylphenyl)acetonitrile
Basic Information
CAS
3288-99-1
Multi CAS
Yes
Molecular Formula
C12H15N
Molecular Weight
173.250000
Exact Mass
173.120449
InChI
InChI=1S/C12H15N/c1-12(2,3)11-6-4-10(5-7-11)8-9-13/h4-7H,8H2,1-3H3
InChIKey
QKJPXROEIJPNHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.46
TPSA
23.79
LogP / Solubility
WLOGP
3.05
MLOGP
2.68
XLogP3
3.2
Consensus LogP
2.98
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.18
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Applications of CAS 3288-99-1
This compound is commonly used in general chemistry research and laboratory applications. Starshine Chemical supplies CAS 3288-99-1 for R&D and pilot-scale use, with flexible pack sizes and purity grades available.
Physical & Chemical Properties
| IUPAC Name | 2-(4-tert-butylphenyl)acetonitrile |
Safety Information (GHS)
- Not Classified
- Reported as not meeting GHS hazard criteria by 1375 of 1377 companies (only 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.
Request the SDS (Safety Data Sheet) for full hazard and safety documentation.
Storage & Handling
Storage: Keep the container tightly closed in a cool, dry and well-ventilated place. For detailed hazard, storage and transport information, request the SDS (Safety Data Sheet) with your inquiry.
Quotation & Packaging
Prices are confirmed by inquiry. Request a quote for current pricing, minimum order quantity (MOQ) and lead time. The pack sizes listed on this page are reference options; custom pack sizes and bulk quantities are available on request.
Quality & Compliance
Specifications and purity shown on this page are based on batch records. A Certificate of Analysis (COA) is available on request. For research and further manufacturing use only — not for direct human or therapeutic use.
