CAS RN: 774-93-6
4-Bromophenylsulfur Pentafluoride
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260104 | 200mg / 1g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251022 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20251007 | 10g | In stock | Shanghai | Inquiry |
| Batchno.20250723 | 1g | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20260503 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260511 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250123 | 5g | In stock | Shanghai | Inquiry |
- Product code: ICTB3867
- Purity/Analytical Methods: >96.0%(GC)
774-93-6 / (4-bromophenyl)-pentafluoro-lambda6-sulfane
Basic Information
CAS
774-93-6
Multi CAS
No
Molecular Formula
BC6H4Rf5S
Molecular Weight
283.060000
Exact Mass
281.913720
InChI
InChI=1S/C6H4BrF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H
InChIKey
RECCABBXFXGELM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
45.54
TPSA
1.0000
LogP / Solubility
WLOGP
5.11
MLOGP
4.5
XLogP3
5.9
Consensus LogP
5.17
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-0.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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- CAS RN: 5310-68-9
- Product Code: ICTC2583
- Purity/Analytical method: >98.0%(GC)
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