CAS RN: 1548450-68-5
2-bromo-9-methyl-9-phenyl-9H-fluorene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250406 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1548450-68-5
- Purity/Analytical Methods: >99.0%
1548450-68-5 / 2-bromo-9-methyl-9-phenylfluorene
Basic Information
CAS
1548450-68-5
Multi CAS
No
Molecular Formula
C20H15Br
Molecular Weight
335.200000
Exact Mass
334.035710
SMILES
CC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)C4=CC=CC=C4
InChI
InChI=1S/C20H15Br/c1-20(14-7-3-2-4-8-14)18-10-6-5-9-16(18)17-12-11-15(21)13-19(17)20/h2-13H,1H3
InChIKey
CLONKSYOYUZVAE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
1
Molar refractivity
91.58
TPSA
0.0000
LogP / Solubility
WLOGP
5.78
MLOGP
5.11
XLogP3
6.2
Consensus LogP
5.7
Log S (ESOL)
-6.13
Class (ESOL)
Insoluble
Log S (Ali)
-6.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.76
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
No
Log Kp (skin permeation)
-0.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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