CAS 12005-21-9 YTTRIUM ALUMINUM OXIDE molecular structure

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CAS RN: 12005-21-9

YTTRIUM ALUMINUM OXIDE

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4 package records3 with current stock2 grade groups

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Batchno.20250309	1g	In stock	Inquiry
Batchno.20260605	25g	In stock	Inquiry
Batchno.20250429	5g	In stock	Inquiry

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Batchno.20251215	1g / 5g / 25g	Out of stock	8-10 business days	Inquiry

Product code: starshine_CAS12005-21-9
Purity/Analytical Methods: >99.0%

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12005-21-9 / aluminum;tris(oxygen(2-));yttrium(3+)

XHRGRAGLMZXFTI-UHFFFAOYSA-N | Aluminium yttrium oxide (5/3/12)

Standard CAS: 12005-21-9 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

12005-21-9

Multi CAS

Yes

Molecular Formula

AlO3Y

Molecular Weight

163.886000

Exact Mass

163.872120

SMILES

[O-2].[O-2].[O-2].[Al+3].[Y+3]

InChI

InChI=1S/5Al.12O.3Y

InChIKey

ITMSSWCUCPDVED-UHFFFAOYSA-N

Synonyms

XHRGRAGLMZXFTI-UHFFFAOYSA-N Aluminium yttrium oxide (5/3/12)

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

Molar refractivity

7.81

TPSA

85.5

LogP / Solubility

WLOGP

-0.74

MLOGP

-0.66

XLogP3

-0.74

Consensus LogP

-0.71

Log S (ESOL)

-0.39

Class (ESOL)

Very soluble

Log S (Ali)

-0.37

Class (Ali)

Very soluble

Log S (SILICOS-IT)

-0.11

Class (SILICOS-IT)

Very soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.24

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

Safety & Transport

GHS Hazard Statements

Not Classified Reported as not meeting GHS hazard criteria by 177 of 177 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 4 of 4 companies. For more detailed information, please visit ECHA C&L website.