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CAS 12060-01-4 Lead zirconate molecular structure lightbox
CAS RN: 12060-01-4

Lead zirconate

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  • Product code: starshine_CAS12060-01-4
  • Purity/Analytical Methods: >99.0%
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12060-01-4 / 1,3-dioxa-2lambda2-plumba-4lambda4-zirconacyclobutane 4-oxide;dioxido(oxo)zirconium;lead(2+)

Lead zirconate | Lead (II) zirconate | RefChem:798782

Standard CAS: 12060-01-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
12060-01-4
Multi CAS
Yes
Molecular Formula
O6Pb2Zr2
Molecular Weight
690.000000
Exact Mass
691.732190
SMILES
[O-][Zr](=O)[O-].O=[Zr]1O[Pb]O1.[Pb+2]
InChI
InChI=1S/3O.Pb.Zr/q;2*-1;+2;
InChIKey
RSCSNKLWUCUPDE-UHFFFAOYSA-N
Synonyms
Lead zirconate Lead (II) zirconate RefChem:798782 Dioxido(oxo)zirconium;lead(2+) SCHEMBL33453

Computed Properties

Structural Parameters

Heavy atom count
10
H-bond acceptors
6
Molar refractivity
15.05
TPSA
98.72

LogP / Solubility

WLOGP
-3.52
MLOGP
-3.04
XLogP3
-3.52
Consensus LogP
-3.36
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-9.44

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 Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H360 (97.7%): May damage fertility or the unborn child [Danger Reproductive toxicity] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, and P501

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