![CAS 2416180-69-1 9H-Fluorene, 2-bromo-9-[4-(1,1-dimethylethyl)phenyl]-9-phenyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2416180-69-1.gif)
CAS RN: 2416180-69-1
9H-Fluorene, 2-bromo-9-[4-(1,1-dimethylethyl)phenyl]-9-phenyl-
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.20260103 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2416180-69-1
- Purity/Analytical Methods: >99.0%
2416180-69-1 / 2-bromo-9-(4-tert-butylphenyl)-9-phenylfluorene
Basic Information
CAS
2416180-69-1
Multi CAS
No
Molecular Formula
C29H25Br
Molecular Weight
453.400000
Exact Mass
452.113960
SMILES
CC(C)(C)C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=C2C=C(C=C4)Br)C5=CC=CC=C5
InChI
InChI=1S/C29H25Br/c1-28(2,3)20-13-15-22(16-14-20)29(21-9-5-4-6-10-21)26-12-8-7-11-24(26)25-18-17-23(30)19-27(25)29/h4-19H,1-3H3
InChIKey
RMEKSDCHIZVKMT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
24
Fraction Csp3
0.17
Rotatable bonds
2
Molar refractivity
130.15
TPSA
0.0000
LogP / Solubility
WLOGP
8.11
MLOGP
7.17
XLogP3
9
Consensus LogP
8.09
Log S (ESOL)
-8.22
Class (ESOL)
Insoluble
Log S (Ali)
-9.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.58
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)
0.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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