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CAS 107792-63-2 CERIUM(IV) TRIFLUOROMETHANESULFONATE molecular structure lightbox
CAS RN: 107792-63-2

CERIUM(IV) TRIFLUOROMETHANESULFONATE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250110 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS107792-63-2
  • Purity/Analytical Methods: >99.0%
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107792-63-2 / cerium(4+);tetrakis(trifluoromethanesulfonate)

Cerium(IV) trifluoromethanesulfonate | DTXSID50432135 | RefChem:575210

Standard CAS: 107792-63-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
107792-63-2
Multi CAS
Yes
Molecular Formula
C4CeF12O12S4
Molecular Weight
736.400000
Exact Mass
735.713550
SMILES
C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Ce+4]
InChI
InChI=1S/4CHF3O3S.Ce/c4*2-1(3,4)8(5,6)7;/h4*(H,5,6,7);/q;;;;+4/p-4
InChIKey
BYAJTISDHIASIP-UHFFFAOYSA-J
Synonyms
Cerium(IV) trifluoromethanesulfonate DTXSID50432135 RefChem:575210 DTXCID50382964 681-237-2

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
H-bond acceptors
12
Molar refractivity
63.01
TPSA
228.8

LogP / Solubility

WLOGP
0.21
MLOGP
0.25
XLogP3
0.21
Consensus LogP
0.22
Log S (ESOL)
-4.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly 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)
-7.07

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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

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