[email protected]
CAS 2413906-36-0 Tris(trans-1,2-bis(4-(trifluoromethyl)phenyl)ethene)nickel(0) molecular structure lightbox
CAS RN: 2413906-36-0

Tris(trans-1,2-bis(4-(trifluoromethyl)phenyl)ethene)nickel(0)

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260106 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250509 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20260303 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-117837
GET A QUOTE
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: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2413906-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Hong Kong Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
1g >98% 1 In Stock Shanghai Inquiry
5g >98% 1 In Stock Shenzhen Inquiry

2413906-36-0 / nickel;tris(1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene)

Standard CAS: 2413906-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2413906-36-0
Multi CAS
No
Molecular Formula
C48H30F18Ni
Molecular Weight
1007.400000
Exact Mass
1006.141350
SMILES
C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(F)(F)F)C(F)(F)F.[Ni]
InChI
InChI=1S/3C16H10F6.Ni/c3*17-15(18,19)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(20,21)22;/h3*1-10H;/b3*2-1+;
InChIKey
MPYIHPQSDZTTLO-VRBCMZOBSA-N

Computed Properties

Structural Parameters

Heavy atom count
67
Aromatic heavy atom count
36
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
18
Molar refractivity
215.45
TPSA
0.0000

LogP / Solubility

WLOGP
17.68
MLOGP
15.66
XLogP3
17.68
Consensus LogP
17.01
Log S (ESOL)
-17.23
Class (ESOL)
Insoluble
Log S (Ali)
-20.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.6
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)
3.69

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

Customers Also Viewed

Get In Touch

Contact Us