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CAS 12018-10-9 Copper chromite molecular structure lightbox
CAS RN: 12018-10-9

Copper chromite

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  • Product code: starshine_CAS12018-10-9
  • Purity/Analytical Methods: >99.0%
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12018-10-9 / copper;bis(chromium(3+));tetrakis(oxygen(2-))

Cupric chromite | Chromium copper oxide (Cr2CuO4) | Copper chromium oxide

Standard CAS: 12018-10-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
12018-10-9
Multi CAS
Yes
Molecular Formula
Cr2CuO4
Molecular Weight
231.540000
Exact Mass
230.790265
SMILES
[O-2].[O-2].[O-2].[O-2].[Cr+3].[Cr+3].[Cu+2]
InChI
InChI=1S/2Cr.Cu.4O/q2*+3;+2;4*-2
InChIKey
CFQJFBMLIAGCOU-UHFFFAOYSA-N
Synonyms
Cupric chromite Chromium copper oxide (Cr2CuO4) Copper chromium oxide 0526VE8P7Q COPPER(2+) CHROMITE

Physical Properties

Physical Description
Other Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
7
H-bond acceptors
4
Molar refractivity
2.75
TPSA
114

LogP / Solubility

WLOGP
-0.48
MLOGP
-0.42
XLogP3
-0.48
Consensus LogP
-0.46
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.76
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H332 (69.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P271, P304+P340, and P317

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