![CAS 144836-60-2 “[1,1′:4′,1″”]-terphenyl-2′,5′-dicarbaldehyde” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144836-60-2.gif)
CAS RN: 144836-60-2
“[1,1′:4′,1″”]-terphenyl-2′,5′-dicarbaldehyde”
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS144836-60-2
- Purity/Analytical Methods: >99.0%
144836-60-2 / 2,5-diphenylterephthalaldehyde
Basic Information
CAS
144836-60-2
Multi CAS
No
Molecular Formula
C20H14O2
Molecular Weight
286.300000
Exact Mass
286.099380
SMILES
C1=CC=C(C=C1)C2=CC(=C(C=C2C=O)C3=CC=CC=C3)C=O
InChI
InChI=1S/C20H14O2/c21-13-17-12-20(16-9-5-2-6-10-16)18(14-22)11-19(17)15-7-3-1-4-8-15/h1-14H
InChIKey
SHJUMDVCIJOFGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
18
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
88.09
TPSA
34.14
LogP / Solubility
WLOGP
4.65
MLOGP
4.1
XLogP3
4.1
Consensus LogP
4.28
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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