CAS RN: 10294-42-5

CERIUM(IV) SULFATE TETRAHYDRATE

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  • Product code: starshine_CAS10294-42-5
  • Purity/Analytical Methods: >99.0%
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10294-42-5 / cerium(4+);disulfate;tetrahydrate

Cerium;sulfuric acid;hydrate | Cerium(IV) sulfate hydrate, REacton, 99% (REO) | CeH4O5S

Standard CAS: 10294-42-5 Multi CAS: Yes

Basic Information

CAS
10294-42-5
Multi CAS
Yes
Molecular Formula
CeH8O12S2
Molecular Weight
404.300000
Exact Mass
403.851170
SMILES
O.O.O.O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ce+4]
InChI
InChI=1S/Ce.2H2O4S.4H2O/c;2*1-5(2,3)4;;;;/h;2*(H2,1,2,3,4);4*1H2/q+4;;;;;;/p-4
InChIKey
MEXSQFDSPVYJOM-UHFFFAOYSA-J
Synonyms
Cerium;sulfuric acid;hydrate Cerium(IV) sulfate hydrate, REacton, 99% (REO) CeH4O5S SCHEMBL721306

Computed Properties

Structural Parameters

Heavy atom count
15
H-bond acceptors
8
H-bond donors
4
Molar refractivity
35.4
TPSA
286.52

LogP / Solubility

WLOGP
-5.97
MLOGP
-5.23
XLogP3
-5.97
Consensus LogP
-5.72
Log S (ESOL)
1.42
Class (ESOL)
Highly soluble
Log S (Ali)
1.44
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.67
Class (SILICOS-IT)
Highly 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)
-9.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant Environmental Hazard
Signal
Danger
GHS Hazard Statements
H314 (70.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H315 (29.1%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (70.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (29.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (27%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P391, P403+P233, P405, and P501

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