CAS RN: 432028-10-9
3,5-Bis(pentafluorothio)bromobenzene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250321 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS432028-10-9
- Purity/Analytical Methods: >99.0%
432028-10-9 / [3-bromo-5-(pentafluoro-lambda6-sulfanyl)phenyl]-pentafluoro-lambda6-sulfane
Basic Information
CAS
432028-10-9
Multi CAS
No
Molecular Formula
BC6H3Rf10S2
Molecular Weight
409.100000
Exact Mass
407.869990
InChI
InChI=1S/C6H3BrF10S2/c7-4-1-5(18(8,9,10,11)12)3-6(2-4)19(13,14,15,16)17/h1-3H
InChIKey
DGYQEZASMTZUGL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
10
Molar refractivity
56.94
TPSA
2.0000
LogP / Solubility
WLOGP
7.76
MLOGP
6.86
XLogP3
9.2
Consensus LogP
7.94
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-8.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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