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CAS 2468315-70-8 Tris(trans-1,2-bis(4-tert-butylphenyl)ethene)nickel(0) molecular structure lightbox
CAS RN: 2468315-70-8

Tris(trans-1,2-bis(4-tert-butylphenyl)ethene)nickel(0)

Product Availability

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250826 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251130 5g Out of stock Inquiry
  • Product code: SSC-119622
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 2468315-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shenzhen Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 1 In Stock Shanghai Inquiry
5g >95% 1 In Stock Shenzhen Inquiry

2468315-70-8 / tris(1-tert-butyl-4-[2-(4-tert-butylphenyl)ethynyl]benzene);nickel

Standard CAS: 2468315-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2468315-70-8
Multi CAS
No
Molecular Formula
C66H78Ni
Molecular Weight
930.000000
Exact Mass
928.545694
SMILES
CC(C)(C)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(C)(C)C.CC(C)(C)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(C)(C)C.CC(C)(C)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(C)(C)C.[Ni]
InChI
InChI=1S/3C22H26.Ni/c3*1-21(2,3)19-13-9-17(10-14-19)7-8-18-11-15-20(16-12-18)22(4,5)6;/h3*9-16H,1-6H3;
InChIKey
ZQSXCMUXCMBTAF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
36
Fraction Csp3
0.36
Rotatable bonds
12
Molar refractivity
288.79
TPSA
0.0000

LogP / Solubility

WLOGP
17.04
MLOGP
15.08
XLogP3
17.04
Consensus LogP
16.39
Log S (ESOL)
-16.74
Class (ESOL)
Insoluble
Log S (Ali)
-19.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.85
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
3.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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