CAS RN: 25069-74-3
N,N-diphenyl-4-vinylaniline
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.20260505 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS25069-74-3
- Purity/Analytical Methods: >99.0%
25069-74-3 / 4-ethenyl-N,N-diphenylaniline
Basic Information
CAS
25069-74-3
Multi CAS
No
Molecular Formula
C20H17N
Molecular Weight
271.400000
Exact Mass
271.136100
SMILES
C=CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H17N/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-16H,1H2
InChIKey
BGGDZDRRHQTSPV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
91.22
TPSA
3.24
LogP / Solubility
WLOGP
5.8
MLOGP
5.11
XLogP3
6.5
Consensus LogP
5.8
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.97
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.72
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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