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CAS 17631-68-4 EU(FOD)3 molecular structure lightbox
CAS RN: 17631-68-4

EU(FOD)3

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6 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 10g Out of stock Inquiry
Batchno.20250115 1g Out of stock Inquiry
Batchno.20250427 250mg In stock Shanghai Inquiry
Batchno.20260412 5g Out of stock Inquiry
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Batchno.20250818 250mg In stock Shanghai Inquiry
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Batchno.20260504 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS17631-68-4
  • Purity/Analytical Methods: >99.0%
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17631-68-4 / europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)

Standard CAS: 17631-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17631-68-4
Multi CAS
No
Molecular Formula
C30H30EuF21O6
Molecular Weight
1037.500000
Exact Mass
1038.091940
SMILES
CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.[Eu+3]
InChI
InChI=1S/3C10H10F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4H,1-3H3;/q3*-1;+3
InChIKey
WMCWALYBYIMOOA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
58
Fraction Csp3
0.7
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
149.15
TPSA
102.42

LogP / Solubility

WLOGP
9.62
MLOGP
8.57
XLogP3
9.62
Consensus LogP
9.27
Log S (ESOL)
-11.54
Class (ESOL)
Insoluble
Log S (Ali)
-15.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.83
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.22

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
4

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