![CAS 171408-77-8 2,2′,7-Tribromo-9,9′-spirobi[fluorene] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/t3916-jpgcontextbwfzdgvyfhjvb3r8mjqznzd8aw1hz2uvanblz3xoytuvadewlzkxmze0mzk3ntexotgvvdm5mtyuanbnfdq5mtu0ywmzmwzinjcwyjqwnwi3mgmwotzinwm4ytc5mte5yzmwnwi2zdy1nwzmyzdkztq1zja2zda4mjq4mge.jpeg)
CAS RN: 171408-77-8
2,2′,7-Tribromo-9,9′-spirobi[fluorene]
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.20250212 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTT3916
- Purity/Analytical Methods: >98.0%(T)(HPLC)
171408-77-8 / 2,2',7'-tribromo-9,9'-spirobi[fluorene]
Basic Information
CAS
171408-77-8
Multi CAS
No
Molecular Formula
C25H13Br3
Molecular Weight
553.100000
Exact Mass
551.854690
SMILES
C1=CC=C2C(=C1)C3=C(C24C5=C(C=CC(=C5)Br)C6=C4C=C(C=C6)Br)C=C(C=C3)Br
InChI
InChI=1S/C25H13Br3/c26-14-5-8-18-17-3-1-2-4-21(17)25(22(18)11-14)23-12-15(27)6-9-19(23)20-10-7-16(28)13-24(20)25/h1-13H
InChIKey
QFUDENSTNNSGFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Molar refractivity
125.84
TPSA
0.0000
LogP / Solubility
WLOGP
8.32
MLOGP
7.36
XLogP3
8.4
Consensus LogP
8.03
Log S (ESOL)
-9.14
Class (ESOL)
Insoluble
Log S (Ali)
-10.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.16
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)
-0.19
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
5
