![CAS 1204389-23-0 1-(4-bromobutoxy)-4-{1,2,2-tris[4-(4-bromobutoxy)phenyl]ethenyl}benzene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1204389-23-0.gif)
CAS RN: 1204389-23-0
1-(4-bromobutoxy)-4-{1,2,2-tris[4-(4-bromobutoxy)phenyl]ethenyl}benzene
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.20260513 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1204389-23-0
- Purity/Analytical Methods: >99.0%
1204389-23-0 / 1-(4-bromobutoxy)-4-[1,2,2-tris[4-(4-bromobutoxy)phenyl]ethenyl]benzene
1,1,2,2-Tetrakis(4-(4-bromobutoxy)phenyl)ethene | 1-(4-bromobutoxy)-4-{1,2,2-tris[4-(4-bromobutoxy)phenyl]ethenyl}benzene | 1-(4-bromobutoxy)-4-[1,2,2-tris[4-(4-bromobutoxy)phenyl]ethenyl]benzene
Basic Information
CAS
1204389-23-0
Multi CAS
No
Molecular Formula
C42H48Br4O4
Molecular Weight
936.400000
Exact Mass
936.024510
SMILES
C1=CC(=CC=C1C(=C(C2=CC=C(C=C2)OCCCCBr)C3=CC=C(C=C3)OCCCCBr)C4=CC=C(C=C4)OCCCCBr)OCCCCBr
InChI
InChI=1S/C42H48Br4O4/c43-25-1-5-29-47-37-17-9-33(10-18-37)41(34-11-19-38(20-12-34)48-30-6-2-26-44)42(35-13-21-39(22-14-35)49-31-7-3-27-45)36-15-23-40(24-16-36)50-32-8-4-28-46/h9-24H,1-8,25-32H2
InChIKey
HZAGSEAPIRCOFL-UHFFFAOYSA-N
Synonyms
1,1,2,2-Tetrakis(4-(4-bromobutoxy)phenyl)ethene
1-(4-bromobutoxy)-4-{1,2,2-tris[4-(4-bromobutoxy)phenyl]ethenyl}benzene
1-(4-bromobutoxy)-4-[1,2,2-tris[4-(4-bromobutoxy)phenyl]ethenyl]benzene
YSWG328
C42H48Br4O4
Computed Properties
Structural Parameters
Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.38
Rotatable bonds
24
H-bond acceptors
4
Molar refractivity
224.88
TPSA
36.92
LogP / Solubility
WLOGP
12.91
MLOGP
11.45
XLogP3
13.7
Consensus LogP
12.69
Log S (ESOL)
-12.55
Class (ESOL)
Insoluble
Log S (Ali)
-16.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.34
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)
0.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5
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