CAS RN: 89346-54-3
2′-BROMO-4-FLUORO-BIPHENYL
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS89346-54-3
- Purity/Analytical Methods: >99.0%
89346-54-3 / 2-bromo-4-fluoro-1-phenylbenzene
Basic Information
CAS
89346-54-3
Multi CAS
Yes
Molecular Formula
BC12H8Rf
Molecular Weight
251.090000
Exact Mass
249.979340
InChI
InChI=1S/C12H8BrF/c13-12-4-2-1-3-11(12)9-5-7-10(14)8-6-9/h1-8H
InChIKey
RYODPXPHDPGULP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
59.54
TPSA
0.0000
LogP / Solubility
WLOGP
4.26
MLOGP
3.75
XLogP3
4.8
Consensus LogP
4.27
Log S (ESOL)
-4.65
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.94
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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