CAS RN: 21520-85-4
3,5-Diphenyl-1-(4-biphenylyl)formazan
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: ICTB0277
- Purity/Analytical Methods: >95.0%(HPLC)
21520-85-4 / N'-anilino-N-(4-phenylphenyl)iminobenzenecarboximidamide
Basic Information
CAS
21520-85-4
Multi CAS
No
Molecular Formula
C25H20N4
Molecular Weight
376.500000
Exact Mass
376.168797
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)N=NC(=NNC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H20N4/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)27-29-25(22-12-6-2-7-13-22)28-26-23-14-8-3-9-15-23/h1-19,26H
InChIKey
LKFXJYZDDITMNN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
119.44
TPSA
49.11
LogP / Solubility
WLOGP
6.91
MLOGP
6.1
XLogP3
7.4
Consensus LogP
6.8
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-7.64
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.44
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
Yes
Log Kp (skin permeation)
-0.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
