CAS RN: 139255-17-7
N,N’-Di-2-naphthyl-N,N’-diphenylbenzidine
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250512 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTD4253
- Purity/Analytical Methods: >99.0%(HPLC)(N)
139255-17-7 / N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
Basic Information
CAS
139255-17-7
Multi CAS
No
Molecular Formula
C44H32N2
Molecular Weight
588.700000
Exact Mass
588.256549
SMILES
C1=CC=C(C=C1)N(C2=CC=C(C=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5)C7=CC8=CC=CC=C8C=C7
InChI
InChI=1S/C44H32N2/c1-3-15-39(16-4-1)45(43-29-23-33-11-7-9-13-37(33)31-43)41-25-19-35(20-26-41)36-21-27-42(28-22-36)46(40-17-5-2-6-18-40)44-30-24-34-12-8-10-14-38(34)32-44/h1-32H
InChIKey
BLFVVZKSHYCRDR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
44
Rotatable bonds
7
H-bond acceptors
2
Molar refractivity
196.26
TPSA
6.48
LogP / Solubility
WLOGP
12.6
MLOGP
11.13
XLogP3
12.5
Consensus LogP
12.08
Log S (ESOL)
-11.67
Class (ESOL)
Insoluble
Log S (Ali)
-13.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
2.63
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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