CAS RN: 480997-58-8
2,7-DIBROMO-9,9′-DIOCTYLFLUORENE
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.20250103 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS480997-58-8
- Purity/Analytical Methods: >99.0%
480997-58-8 / 2,7-dibromo-9,9-di(nonyl)fluorene
Basic Information
CAS
480997-58-8
Multi CAS
Yes
Molecular Formula
C31H44BR2
Molecular Weight
576.500000
Exact Mass
576.178930
InChI
InChI=1S/C31H44Br2/c1-3-5-7-9-11-13-15-21-31(22-16-14-12-10-8-6-4-2)29-23-25(32)17-19-27(29)28-20-18-26(33)24-30(28)31/h17-20,23-24H,3-16,21-22H2,1-2H3
InChIKey
IONSQKYKDZNFBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.61
Rotatable bonds
16
Molar refractivity
153.28
TPSA
0.0000
LogP / Solubility
WLOGP
11.76
MLOGP
10.39
XLogP3
14.5
Consensus LogP
12.22
Log S (ESOL)
-10.04
Class (ESOL)
Insoluble
Log S (Ali)
-12.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.09
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)
2.11
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
2.5
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