CAS RN: 2767332-14-7
9H-Fluorene, 4-bromo-9-(3-chlorophenyl)-9-phenyl-
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260505 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2767332-14-7
- Purity/Analytical Methods: >99.0%
2767332-14-7 / 4-bromo-9-(3-chlorophenyl)-9-phenylfluorene
Basic Information
CAS
2767332-14-7
Multi CAS
No
Molecular Formula
C25H16BrCl
Molecular Weight
431.700000
Exact Mass
430.012390
SMILES
C1=CC=C(C=C1)C2(C3=C(C4=CC=CC=C42)C(=CC=C3)Br)C5=CC(=CC=C5)Cl
InChI
InChI=1S/C25H16BrCl/c26-23-15-7-14-22-24(23)20-12-4-5-13-21(20)25(22,17-8-2-1-3-9-17)18-10-6-11-19(27)16-18/h1-16H
InChIKey
JNAXRGWFFDZMGA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
2
Molar refractivity
116.46
TPSA
0.0000
LogP / Solubility
WLOGP
7.47
MLOGP
6.6
XLogP3
8
Consensus LogP
7.36
Log S (ESOL)
-7.75
Class (ESOL)
Insoluble
Log S (Ali)
-8.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.9
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)
-0.05
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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