CAS 10025-84-0 LANTHANUM CHLORIDE HEPTAHYDRATE molecular structure

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CAS RN: 10025-84-0

LANTHANUM CHLORIDE HEPTAHYDRATE

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Product code: starshine_CAS10025-84-0
Purity/Analytical Methods: >99.0%

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10025-84-0 / lanthanum(3+);trichloride;heptahydrate

Lanthanum chloride heptahydrate | Lanthanum chloride (LaCl3), heptahydrate | 936G1MX96X

Standard CAS: 10025-84-0 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

10025-84-0

Multi CAS

Yes

Molecular Formula

Cl3H14LaO7

Molecular Weight

371.370000

Exact Mass

369.886874

SMILES

O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].[La+3]

InChI

InChI=1S/3ClH.La.7H2O/h3*1H;;7*1H2/q;;;+3;;;;;;;/p-3

InChIKey

FDFPDGIMPRFRJP-UHFFFAOYSA-K

Synonyms

Lanthanum chloride heptahydrate Lanthanum chloride (LaCl3), heptahydrate 936G1MX96X LANTHANUM TRICHLORIDE HEPTAHYDRATE LANTHANUM CHLORIDE HEPTAHYDRATE [MI]

Computed Properties

Structural Parameters

Heavy atom count

H-bond acceptors

H-bond donors

Molar refractivity

25.3

TPSA

220.5

LogP / Solubility

WLOGP

-14.76

MLOGP

-12.97

XLogP3

-14.76

Consensus LogP

-14.16

Log S (ESOL)

7.16

Class (ESOL)

Highly soluble

Log S (Ali)

8.05

Class (Ali)

Highly soluble

Log S (SILICOS-IT)

10.18

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-15.47

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Egan

Muegge

Bioavailability score

0.55

Leadlikeness

Synthetic Accessibility

1.5

Safety & Transport

Pictogram(s)

Irritant

Signal

Warning

GHS Hazard Statements

H315 (98.1%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.1%): 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