CAS RN: 1361119-48-3
4,4′-(anthracene-9,10-diylbis(ethyne-2,1-diyl))dibenzaldehyde
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250828 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250214 | 1g | In stock | Wuhan, Chengdu | Inquiry | |
| Batchno.20250315 | 250mg | In stock | Shanghai, Shenzhen, Chengdu | Inquiry | |
| Batchno.20250624 | 5g | In stock | Tianjin | Inquiry |
- Product code: starshine_CAS1361119-48-3
- Purity/Analytical Methods: >99.0%
1361119-48-3 / 4-[2-[10-[2-(4-formylphenyl)ethynyl]anthracen-9-yl]ethynyl]benzaldehyde
Basic Information
CAS
1361119-48-3
Multi CAS
No
Molecular Formula
C32H18O2
Molecular Weight
434.500000
Exact Mass
434.130680
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C#CC4=CC=C(C=C4)C=O)C#CC5=CC=C(C=C5)C=O
InChI
InChI=1S/C32H18O2/c33-21-25-13-9-23(10-14-25)17-19-31-27-5-1-2-6-28(27)32(30-8-4-3-7-29(30)31)20-18-24-11-15-26(22-34)16-12-24/h1-16,21-22H
InChIKey
XTERTOOUIOHMBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
26
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
137.07
TPSA
34.14
LogP / Solubility
WLOGP
6.42
MLOGP
5.68
XLogP3
7.4
Consensus LogP
6.5
Log S (ESOL)
-7.01
Class (ESOL)
Insoluble
Log S (Ali)
-7.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.05
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)
-0.81
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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