CAS RN: 2567920-74-3
INDEX NAME NOT YET ASSIGNED
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251119 | 100mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20260606 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20250716 | 1g | In stock | Shenzhen | Inquiry | |
| Batchno.20250917 | 250mg | In stock | Tianjin, Chengdu | Inquiry |
- Product code: starshine_CAS2567920-74-3
- Purity/Analytical Methods: >99.0%
2567920-74-3 / 4-[4-[4-[1,2,2-tris[4-[4-(4-formylphenyl)phenyl]phenyl]ethenyl]phenyl]phenyl]benzaldehyde
Basic Information
CAS
2567920-74-3
Multi CAS
No
Molecular Formula
C78H52O4
Molecular Weight
1053.200000
Exact Mass
1052.386560
SMILES
C1=CC(=CC=C1C=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=C(C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CC=C(C=C6)C=O)C7=CC=C(C=C7)C8=CC=C(C=C8)C9=CC=C(C=C9)C=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C1=CC=C(C=C1)C=O
InChI
InChI=1S/C78H52O4/c79-49-53-1-9-57(10-2-53)61-17-25-65(26-18-61)69-33-41-73(42-34-69)77(74-43-35-70(36-44-74)66-27-19-62(20-28-66)58-11-3-54(50-80)4-12-58)78(75-45-37-71(38-46-75)67-29-21-63(22-30-67)59-13-5-55(51-81)6-14-59)76-47-39-72(40-48-76)68-31-23-64(24-32-68)60-15-7-56(52-82)8-16-60/h1-52H
InChIKey
LYUOXZCTKURFLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
82
Aromatic heavy atom count
72
Rotatable bonds
16
H-bond acceptors
4
Molar refractivity
335.82
TPSA
68.28
LogP / Solubility
WLOGP
19.28
MLOGP
17.07
XLogP3
18.8
Consensus LogP
18.38
Log S (ESOL)
-18.11
Class (ESOL)
Insoluble
Log S (Ali)
-22.12
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-24.43
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)
4.54
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
8.5
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