![CAS 1228153-91-0 5′-Fluoro-N-phenyl-[1,1′:3′,1”-terphenyl]-4′-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/f1070-jpgcontextbwfzdgvyfhjvb3r8mzg5njh8aw1hz2uvanblz3xoodkvagmxlzg5mza3mty2odaymjivrjewnzauanbnfgzhnmnlyjazzgy3nti5ztc4njhinjvlywyxndu5mzrlzdywzwfinjayndu5ywe2nji0zjvhmjzlotewmja4m2m.jpeg)
CAS RN: 1228153-91-0
5′-Fluoro-N-phenyl-[1,1′:3′,1”-terphenyl]-4′-amine
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: ICTF1070
- Purity/Analytical Methods: >98.0%(HPLC)(N)
1228153-91-0 / 2-fluoro-N,4,6-triphenylaniline
Basic Information
CAS
1228153-91-0
Multi CAS
No
Molecular Formula
C24H18FN
Molecular Weight
339.400000
Exact Mass
339.142328
SMILES
C1=CC=C(C=C1)C2=CC(=C(C(=C2)F)NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H18FN/c25-23-17-20(18-10-4-1-5-11-18)16-22(19-12-6-2-7-13-19)24(23)26-21-14-8-3-9-15-21/h1-17,26H
InChIKey
USTXPBYMOJRABI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
107
TPSA
12.03
LogP / Solubility
WLOGP
6.9
MLOGP
6.09
XLogP3
6.8
Consensus LogP
6.6
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.08
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
-
N,N’-Di(1-naphthyl)benzidine (purified by sublimation)
- CAS RN: 152670-41-2
- Product Code: SSC-062413
-
-
-
-
