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CAS 3288-99-1 4-tert-Butylphenylacetonitrile molecular structure lightbox
CAS RN: 3288-99-1

4-tert-Butylphenylacetonitrile

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260218 100g In stock Shanghai Inquiry
Batchno.20250521 1kg In stock Shenzhen, Chengdu Inquiry
Batchno.20250424 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20260120 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260309 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-138634
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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
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 3288-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >97% 1 In Stock Shenzhen Inquiry
10g >97% 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

3288-99-1 / 2-(4-tert-butylphenyl)acetonitrile

Standard CAS: 3288-99-1 Multi CAS: Yes
Basic Information Computed Properties

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

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