CAS RN: 2205033-01-6
1,1,2,2-tetrakis(4-(pyridin-4-ylethynyl)phenyl)ethene
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.20250108 | 100mg / 500mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2205033-01-6
- Purity/Analytical Methods: >99.0%
2205033-01-6 / 4-[2-[4-[1,2,2-tris[4-(2-pyridin-4-ylethynyl)phenyl]ethenyl]phenyl]ethynyl]pyridine
Basic Information
CAS
2205033-01-6
Multi CAS
No
Molecular Formula
C54H32N4
Molecular Weight
736.900000
Exact Mass
736.262697
SMILES
C1=CC(=CC=C1C#CC2=CC=NC=C2)C(=C(C3=CC=C(C=C3)C#CC4=CC=NC=C4)C5=CC=C(C=C5)C#CC6=CC=NC=C6)C7=CC=C(C=C7)C#CC8=CC=NC=C8
InChI
InChI=1S/C54H32N4/c1(5-45-25-33-55-34-26-45)41-9-17-49(18-10-41)53(50-19-11-42(12-20-50)2-6-46-27-35-56-36-28-46)54(51-21-13-43(14-22-51)3-7-47-29-37-57-38-30-47)52-23-15-44(16-24-52)4-8-48-31-39-58-40-32-48/h9-40H
InChIKey
UHLGLSDURCRKKM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
58
Aromatic heavy atom count
48
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
231.65
TPSA
51.56
LogP / Solubility
WLOGP
9.87
MLOGP
8.75
XLogP3
11.8
Consensus LogP
10.14
Log S (ESOL)
-10.98
Class (ESOL)
Insoluble
Log S (Ali)
-12.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.12
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.2
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
1H-Indole, 2-(2,6-dimethyl-4-pyridinyl)-3-(1-methylethyl)-5-(4-piperidinyl)-
- CAS RN: 2205846-49-5
- Product Code: SSC-106117
-
Ticagrelor Related Compound 46
- CAS RN: 2205903-73-5
- Product Code: starshine_CAS2205903-73-5
- Purity/Analytical method: >99.0%
-
Ethyl 3-(1H-Pyrazol-3-Yl)Indolizine-1-Carboxylate(WX135236)
- CAS RN: 2206113-51-9
- Product Code: starshine_CAS2206113-51-9
- Purity/Analytical method: >99.0%
-
(S)-(tetrahydro-2H-pyran-2-yl)methanamine hydrochloride
- CAS RN: 2206608-25-3
- Product Code: SSC-106165
-
Tert-Butyl2,9-Diazaspiro[5.5]Undecane-9-Carboxylate Oxalate*
- CAS RN: 2206610-58-2
- Product Code: starshine_CAS2206610-58-2
- Purity/Analytical method: >99.0%
-
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 4-[(3S)-3-(cyanomethyl)-4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-5,8-dihydro-2-(methylthio)-, phenylmethyl ester
- CAS RN: 2206737-02-0
- Product Code: SSC-106171
![CAS 2206610-58-2 Tert-Butyl2,9-Diazaspiro[5.5]Undecane-9-Carboxylate Oxalate* molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2206610-58-2.gif)
![CAS 2206737-02-0 Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 4-[(3S)-3-(cyanomethyl)-4-[(1,1-dimethylethoxy)carbonyl]-1-piperazinyl]-5,8-dihydro-2-(methylthio)-, phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2206737-02-0.gif)