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CAS 152376-94-8 Tetrabutylammonium Tetrakis(trifluoromethyl)cuprate(III) molecular structure lightbox
CAS RN: 152376-94-8

Tetrabutylammonium Tetrakis(trifluoromethyl)cuprate(III)

  • Product code: SSC-062253
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 152376-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

152376-94-8 / copper;tetrabutylazanium;tetrakis(trifluoromethane)

Standard CAS: 152376-94-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
152376-94-8
Multi CAS
No
Molecular Formula
C20H36CuF12N-3
Molecular Weight
582.000000
Exact Mass
581.195210
SMILES
CCCC[N+](CCCC)(CCCC)CCCC.[C-](F)(F)F.[C-](F)(F)F.[C-](F)(F)F.[C-](F)(F)F.[Cu]
InChI
InChI=1S/C16H36N.4CF3.Cu/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;4*2-1(3)4;/h5-16H2,1-4H3;;;;;/q+1;4*-1;
InChIKey
ONKMOBXWIMXGQS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Fraction Csp3
0.8
Rotatable bonds
12
H-bond acceptors
16
Molar refractivity
105.63
TPSA
0.0000

LogP / Solubility

WLOGP
10.37
MLOGP
9.17
XLogP3
10.37
Consensus LogP
9.97
Log S (ESOL)
-9.19
Class (ESOL)
Insoluble
Log S (Ali)
-11.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.09

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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