![CAS 1446909-29-0 [2-(4-Cyanophenyl)ethene-1,1,2-triyl]tribenzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446909-29-0.gif)
CAS RN: 1446909-29-0
[2-(4-Cyanophenyl)ethene-1,1,2-triyl]tribenzene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251229 | 1g | Out of stock | Inquiry | |
| Batchno.20250911 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20251123 | 250mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250619 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250613 | 5g | In stock | Shanghai, Tianjin | Inquiry |
- Product code: starshine_CAS1446909-29-0
- Purity/Analytical Methods: >99.0%
1446909-29-0 / 4-(1,2,2-triphenylethenyl)benzonitrile
Basic Information
CAS
1446909-29-0
Multi CAS
No
Molecular Formula
C27H19N
Molecular Weight
357.400000
Exact Mass
357.151750
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C#N)C4=CC=CC=C4
InChI
InChI=1S/C27H19N/c28-20-21-16-18-25(19-17-21)27(24-14-8-3-9-15-24)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-19H
InChIKey
YLKOFCYTHCZTEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
115.5
TPSA
23.79
LogP / Solubility
WLOGP
6.57
MLOGP
5.8
XLogP3
7.7
Consensus LogP
6.69
Log S (ESOL)
-6.56
Class (ESOL)
Insoluble
Log S (Ali)
-7.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.91
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)
-0.24
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
Customers Also Viewed
-
![CAS 1446947-55-2 (1R,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(1R,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid
- CAS RN: 1446947-55-2
- Product Code: SSC-055961
-
-
Ethyl 2-Chloro-6-(MethylsulfonaMido)benzoate
- CAS RN: 1447213-80-0
- Product Code: SSC-055981
-
-
Methyl N-Boc-3-MethylMorpholine-3-carboxylate
- CAS RN: 1447240-83-6
- Product Code: SSC-055984
-
2-(1H-iMidazol-2-yl)propan-1-ol
- CAS RN: 1447317-08-9
- Product Code: starshine_CAS1447317-08-9
- Purity/Analytical method: >99.0%
![CAS 1446947-55-2 (1R,5S)-2-(tert-butoxycarbonyl)-2-azabicyclo[3.1.0]hexane-1-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1446947-55-2.gif)
