CAS RN: 698999-65-4
CERIUM(IV) TRIFLUOROMETHANESULFONATE HY&
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250701 | 100g | Out of stock | Inquiry |
- Product code: starshine_CAS698999-65-4
- Purity/Analytical Methods: >99.0%
698999-65-4 / cerium(3+);tris(trifluoromethanesulfonate)
Basic Information
CAS
698999-65-4
Multi CAS
Yes
Molecular Formula
C3CEF9O9S3
Molecular Weight
587.300000
Exact Mass
586.761520
InChI
InChI=1S/3CHF3O3S.Ce/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey
PHSMPGGNMIPKTH-UHFFFAOYSA-K
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
1
H-bond acceptors
9
Molar refractivity
47.26
TPSA
171.6
LogP / Solubility
WLOGP
0.15
MLOGP
0.18
XLogP3
0.15
Consensus LogP
0.16
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly 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)
-6.19
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
2.5
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