CAS RN: 89114-90-9
4-N,N-DIPHENYLAMINO-B-PHENYLSTILBENE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250215 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89114-90-9
- Purity/Analytical Methods: >99.0%
89114-90-9 / 4-(2,2-diphenylethenyl)-N,N-diphenylaniline
Basic Information
CAS
89114-90-9
Multi CAS
No
Molecular Formula
C32H25N
Molecular Weight
423.500000
Exact Mass
423.198700
InChI
InChI=1S/C32H25N/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-25H
InChIKey
NIZIGUQDQIALBQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
30
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
140.98
TPSA
3.24
LogP / Solubility
WLOGP
8.75
MLOGP
7.72
XLogP3
9.3
Consensus LogP
8.59
Log S (ESOL)
-8.25
Class (ESOL)
Insoluble
Log S (Ali)
-9.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.39
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)
0.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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