CAS RN: 646474-54-6
7,7”-Dibromo-9,9,9′,9′,9”,9”-hexaoctyl-9H,9’H,9”H-2,2′:7′,2”-terfluorene
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250417 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS646474-54-6
- Purity/Analytical Methods: >99.0%
646474-54-6 / 2,7-bis(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
Basic Information
CAS
646474-54-6
Multi CAS
No
Molecular Formula
C87H120BR2
Molecular Weight
1325.700000
Exact Mass
1324.773630
InChI
InChI=1S/C87H120Br2/c1-7-13-19-25-31-37-55-85(56-38-32-26-20-14-8-2)79-61-67(69-45-51-75-77-53-47-71(88)65-83(77)86(81(75)63-69,57-39-33-27-21-15-9-3)58-40-34-28-22-16-10-4)43-49-73(79)74-50-44-68(62-80(74)85)70-46-52-76-78-54-48-72(89)66-84(78)87(82(76)64-70,59-41-35-29-23-17-11-5)60-42-36-30-24-18-12-6/h43-54,61-66H,7-42,55-60H2,1-6H3
InChIKey
WSECMJSPFXJHHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
89
Aromatic heavy atom count
36
Fraction Csp3
0.59
Rotatable bonds
44
Molar refractivity
399.32
TPSA
0.0000
LogP / Solubility
WLOGP
29.85
MLOGP
26.4
XLogP3
36.8
Consensus LogP
31.02
Log S (ESOL)
-24.26
Class (ESOL)
Insoluble
Log S (Ali)
-31.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-38.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
10.39
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
7
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