CAS 14457-87-5 CERIUM(III)BROMIDE HEXAHYDRATE molecular structure

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CAS RN: 14457-87-5

CERIUM(III)BROMIDE HEXAHYDRATE

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Product code: starshine_CAS14457-87-5
Purity/Analytical Methods: >99.0%

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14457-87-5 / tribromocerium

Standard CAS: 14457-87-5 Multi CAS: No

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

14457-87-5

Multi CAS

Molecular Formula

Br3Ce

Molecular Weight

379.830000

Exact Mass

378.658410

SMILES

Br[Ce](Br)Br

InChI

InChI=1S/3BrH.Ce/h3*1H;/q;;;+3/p-3

InChIKey

MOOUSOJAOQPDEH-UHFFFAOYSA-K

Computed Properties

Structural Parameters

Heavy atom count

Molar refractivity

26.78

TPSA

0.0000

LogP / Solubility

WLOGP

2.54

MLOGP

2.25

XLogP3

2.54

Consensus LogP

2.44

Log S (ESOL)

-3.79

Class (ESOL)

Poorly soluble

Log S (Ali)

-4.51

Class (Ali)

Slightly soluble

Log S (SILICOS-IT)

-4.23

Class (SILICOS-IT)

Slightly soluble

ADME

GI absorption

High

BBB permeant

Yes

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

Yes

CYP2D6 inhibitor

CYP3A4 inhibitor

Yes

Log Kp (skin permeation)

-3.24

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

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] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statement Codes

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501