![CAS 1262331-04-3 [1,1′-Biphenyl]-4-carboxaldehyde, 4′-(1,2,2-triphenylethenyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1262331-04-3.gif)
CAS RN: 1262331-04-3
[1,1′-Biphenyl]-4-carboxaldehyde, 4′-(1,2,2-triphenylethenyl)-
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.20260222 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1262331-04-3
- Purity/Analytical Methods: >99.0%
1262331-04-3 / 4-[4-(1,2,2-triphenylethenyl)phenyl]benzaldehyde
Basic Information
CAS
1262331-04-3
Multi CAS
No
Molecular Formula
C33H24O
Molecular Weight
436.500000
Exact Mass
436.182715
SMILES
C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=O)C5=CC=CC=C5
InChI
InChI=1S/C33H24O/c34-24-25-16-18-26(19-17-25)27-20-22-31(23-21-27)33(30-14-8-3-9-15-30)32(28-10-4-1-5-11-28)29-12-6-2-7-13-29/h1-24H
InChIKey
WCWSJSCBOQRFRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
30
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
141.61
TPSA
17.07
LogP / Solubility
WLOGP
8.17
MLOGP
7.22
XLogP3
9.1
Consensus LogP
8.16
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-9.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10
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)
0.42
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
3.5
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