![CAS 2088007-05-8 2′,4′,6′-trifluoro-5′-(4-formylphenyl)-[1,1′:3′,1”-terphenyl]-4,4”-dicarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2088007-05-8.png)
CAS RN: 2088007-05-8
2′,4′,6′-trifluoro-5′-(4-formylphenyl)-[1,1′:3′,1”-terphenyl]-4,4”-dicarbaldehyde
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.20250105 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2088007-05-8
- Purity/Analytical Methods: >99.0%
2088007-05-8 / 4-[2,4,6-trifluoro-3,5-bis(4-formylphenyl)phenyl]benzaldehyde
Basic Information
CAS
2088007-05-8
Multi CAS
No
Molecular Formula
C27H15F3O3
Molecular Weight
444.400000
Exact Mass
444.097329
SMILES
C1=CC(=CC=C1C=O)C2=C(C(=C(C(=C2F)C3=CC=C(C=C3)C=O)F)C4=CC=C(C=C4)C=O)F
InChI
InChI=1S/C27H15F3O3/c28-25-22(19-7-1-16(13-31)2-8-19)26(29)24(21-11-5-18(15-33)6-12-21)27(30)23(25)20-9-3-17(14-32)4-10-20/h1-15H
InChIKey
QYLBWYGMWSWBNS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
118.79
TPSA
51.21
LogP / Solubility
WLOGP
6.54
MLOGP
5.79
XLogP3
5.5
Consensus LogP
5.94
Log S (ESOL)
-6.86
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.7
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.79
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
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