CAS RN: 59089-68-8
2′,4′-DIFLUORO-4-HYDROXY BIPHENYL
Product Availability
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7 package records6 with current stock2 grade groups
- Product code: starshine_CAS59089-68-8
- Purity/Analytical Methods: >99.0%
59089-68-8 / 4-(2,4-difluorophenyl)phenol
Basic Information
CAS
59089-68-8
Multi CAS
Yes
Molecular Formula
C12F2H8O
Molecular Weight
206.190000
Exact Mass
206.054321
InChI
InChI=1S/C12H8F2O/c13-9-3-6-11(12(14)7-9)8-1-4-10(15)5-2-8/h1-7,15H
InChIKey
ASOVDRYKVVVCIA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.46
TPSA
20.23
LogP / Solubility
WLOGP
3.34
MLOGP
2.94
XLogP3
3.4
Consensus LogP
3.23
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.89
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
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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