![CAS 2734880-96-5 4′,4”’,4””’,4”””’-(pyrene-1,3,6,8-tetrayl)tetrakis(([1,1′-biphenyl]-4-carbaldehyde)) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2734880-96-5.gif)
CAS RN: 2734880-96-5
4′,4”’,4””’,4”””’-(pyrene-1,3,6,8-tetrayl)tetrakis(([1,1′-biphenyl]-4-carbaldehyde))
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250615 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2734880-96-5
- Purity/Analytical Methods: >99.0%
2734880-96-5 / 4-[4-[3,6,8-tris[4-(4-formylphenyl)phenyl]pyren-1-yl]phenyl]benzaldehyde
Basic Information
CAS
2734880-96-5
Multi CAS
No
Molecular Formula
C68H42O4
Molecular Weight
923.100000
Exact Mass
922.308310
InChI
InChI=1S/C68H42O4/c69-39-43-1-9-47(10-2-43)51-17-25-55(26-18-51)63-37-64(56-27-19-52(20-28-56)48-11-3-44(40-70)4-12-48)60-35-36-62-66(58-31-23-54(24-32-58)50-15-7-46(42-72)8-16-50)38-65(61-34-33-59(63)67(60)68(61)62)57-29-21-53(22-30-57)49-13-5-45(41-71)6-14-49/h1-42H
InChIKey
AGTMLNPPOFPFGD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
72
Aromatic heavy atom count
64
Rotatable bonds
12
H-bond acceptors
4
Molar refractivity
295.18
TPSA
68.28
LogP / Solubility
WLOGP
17.17
MLOGP
15.2
XLogP3
15.9
Consensus LogP
16.09
Log S (ESOL)
-16.25
Class (ESOL)
Insoluble
Log S (Ali)
-19.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-21.35
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)
3.84
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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