CAS RN: 192188-70-8
4,4′-(1,4-phenylenebis(ethyne-2,1-diyl))dibenzaldehyde
Product Availability
Choose a grade to view its available package options.
8 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251012 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260317 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batchno.20250917 | 1g | In stock | Shenzhen | Inquiry | |
| Batchno.20260428 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260119 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS192188-70-8
- Purity/Analytical Methods: >99.0%
192188-70-8 / 4-[2-[4-[2-(4-formylphenyl)ethynyl]phenyl]ethynyl]benzaldehyde
Basic Information
CAS
192188-70-8
Multi CAS
No
Molecular Formula
C24H14O2
Molecular Weight
334.400000
Exact Mass
334.099380
SMILES
C1=CC(=CC=C1C=O)C#CC2=CC=C(C=C2)C#CC3=CC=C(C=C3)C=O
InChI
InChI=1S/C24H14O2/c25-17-23-13-9-21(10-14-23)7-5-19-1-2-20(4-3-19)6-8-22-11-15-24(18-26)16-12-22/h1-4,9-18H
InChIKey
UBVTYTLZFMRCCC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
102.06
TPSA
34.14
LogP / Solubility
WLOGP
4.11
MLOGP
3.63
XLogP3
4.9
Consensus LogP
4.21
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
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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