CAS RN: 1211547-22-6
9,9-bis(3-bromophenyl)-9H-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.20250724 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1211547-22-6
- Purity/Analytical Methods: >99.0%
1211547-22-6 / 9,9-bis(3-bromophenyl)fluorene
9,9-Bis(3-bromophenyl)-9H-fluorene | SCHEMBL1495151 | SCHEMBL30153131
Basic Information
CAS
1211547-22-6
Multi CAS
No
Molecular Formula
C25H16Br2
Molecular Weight
476.200000
Exact Mass
475.959830
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC(=CC=C4)Br)C5=CC(=CC=C5)Br
InChI
InChI=1S/C25H16Br2/c26-19-9-5-7-17(15-19)25(18-8-6-10-20(27)16-18)23-13-3-1-11-21(23)22-12-2-4-14-24(22)25/h1-16H
InChIKey
VMWVYYLNOZSRFG-UHFFFAOYSA-N
Synonyms
9,9-Bis(3-bromophenyl)-9H-fluorene
SCHEMBL1495151
SCHEMBL30153131
VMWVYYLNOZSRFG-UHFFFAOYSA-N
MFCD32709914
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
2
Molar refractivity
119.15
TPSA
0.0000
LogP / Solubility
WLOGP
7.57
MLOGP
6.7
XLogP3
8.1
Consensus LogP
7.46
Log S (ESOL)
-8.09
Class (ESOL)
Insoluble
Log S (Ali)
-8.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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