CAS RN: 2128245-45-2
9-(3-Bromophenyl)-9-methyl-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.20250324 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2128245-45-2
- Purity/Analytical Methods: >99.0%
2128245-45-2 / 9-(3-bromophenyl)-9-methylfluorene
Basic Information
CAS
2128245-45-2
Multi CAS
No
Molecular Formula
C20H15Br
Molecular Weight
335.200000
Exact Mass
334.035710
SMILES
CC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC(=CC=C4)Br
InChI
InChI=1S/C20H15Br/c1-20(14-7-6-8-15(21)13-14)18-11-4-2-9-16(18)17-10-3-5-12-19(17)20/h2-13H,1H3
InChIKey
HIVTUSLYNFWASQ-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
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