![CAS 2195343-70-3 5′-(4-formylphenyl)-2′,4′,6′-trimethyl-[1,1′:3′,1”-terphenyl]-4,4”-dicarbaldehyde molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2195343-70-3.png)
CAS RN: 2195343-70-3
5′-(4-formylphenyl)-2′,4′,6′-trimethyl-[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.20260319 | 250mg / 1g / 5g | Confirm by inquiry | Hebei, Shanghai | Inquiry |
- Product code: starshine_CAS2195343-70-3
- Purity/Analytical Methods: >99.0%
2195343-70-3 / 4-[3,5-bis(4-formylphenyl)-2,4,6-trimethylphenyl]benzaldehyde
Basic Information
CAS
2195343-70-3
Multi CAS
No
Molecular Formula
C30H24O3
Molecular Weight
432.500000
Exact Mass
432.172545
SMILES
CC1=C(C(=C(C(=C1C2=CC=C(C=C2)C=O)C)C3=CC=C(C=C3)C=O)C)C4=CC=C(C=C4)C=O
InChI
InChI=1S/C30H24O3/c1-19-28(25-10-4-22(16-31)5-11-25)20(2)30(27-14-8-24(18-33)9-15-27)21(3)29(19)26-12-6-23(17-32)7-13-26/h4-18H,1-3H3
InChIKey
ZDRONJWMVMLRQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
24
Fraction Csp3
0.1
Rotatable bonds
6
H-bond acceptors
3
Molar refractivity
133.12
TPSA
51.21
LogP / Solubility
WLOGP
7.05
MLOGP
6.23
XLogP3
6.3
Consensus LogP
6.53
Log S (ESOL)
-7.11
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.04
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)
-0.35
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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