CAS RN: 209901-86-0
4′-(4-FLUOROPHENYL)-2,2′:6′,2”-TERPYRIDINE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS209901-86-0
- Purity/Analytical Methods: >99.0%
209901-86-0 / 4-(4-fluorophenyl)-2,6-dipyridin-2-ylpyridine
Basic Information
CAS
209901-86-0
Multi CAS
No
Molecular Formula
C21H14FN3
Molecular Weight
327.400000
Exact Mass
327.117176
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H14FN3/c22-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-23-18)25-21(14-16)19-6-2-4-12-24-19/h1-14H
InChIKey
MYQQZCVIAQFISL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
24
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
96.09
TPSA
38.67
LogP / Solubility
WLOGP
5.01
MLOGP
4.43
XLogP3
3.8
Consensus LogP
4.41
Log S (ESOL)
-5.54
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
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)
-1.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 209911-63-7 4′-(Dibromomethyl)-[1,1′-Biphenyl]-2-Carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/209911-63-7.gif)
