![CAS 2195343-69-0 5′-(4-formylphenyl)-2′,4′,6′-triethyl-[1,1′: 3′,1”-triphenyl] -4,4”-di formaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2195343-69-0.png)
CAS RN: 2195343-69-0
5′-(4-formylphenyl)-2′,4′,6′-triethyl-[1,1′: 3′,1”-triphenyl] -4,4”-di formaldehyde
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.20250727 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS2195343-69-0
- Purity/Analytical Methods: >99.0%
2195343-69-0 / 4-[2,4,6-triethyl-3,5-bis(4-formylphenyl)phenyl]benzaldehyde
Basic Information
CAS
2195343-69-0
Multi CAS
No
Molecular Formula
C33H30O3
Molecular Weight
474.600000
Exact Mass
474.219495
SMILES
CCC1=C(C(=C(C(=C1C2=CC=C(C=C2)C=O)CC)C3=CC=C(C=C3)C=O)CC)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C33H30O3/c1-4-28-31(25-13-7-22(19-34)8-14-25)29(5-2)33(27-17-11-24(21-36)12-18-27)30(6-3)32(28)26-15-9-23(20-35)10-16-26/h7-21H,4-6H2,1-3H3
InChIKey
YWLNECSQPIVGQJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
24
Fraction Csp3
0.18
Rotatable bonds
9
H-bond acceptors
3
Molar refractivity
147.05
TPSA
51.21
LogP / Solubility
WLOGP
7.81
MLOGP
6.91
XLogP3
7.6
Consensus LogP
7.44
Log S (ESOL)
-7.6
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.31
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)
-0.07
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
4.5
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